SCHEMBL8301445

SCHEMBL8301445

CC(=O)N1CCC(OC(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
EPHX2 P34913 6/20 0.41
EPHX1 P07099 2/20 0.41
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.37
QDPR P09417 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12448268 0.89 PDE4B (0.35) PIK3CDEPHX2EPHX1CYP1A2TDP1
SCHEMBL25094200 0.89 PDE4B (0.35) PIK3CDEPHX2EPHX1CYP1A2TDP1
SCHEMBL17660647 0.89 PDE4B (0.35) PIK3CDEPHX2EPHX1CYP1A2TDP1
SCHEMBL23133949 0.86 HTR4 (0.42) PIK3CDSMN1; SMN2
SCHEMBL5268205 0.84 MEN1 (0.36) EPHX2SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL19322325 0.83 PIK3CD (0.37) PIK3CDCYP1A2TDP1RAB9AKCNQ3
SCHEMBL14403745 0.83 EPHX2 (0.41) PIK3CDEPHX2EPHX1CYP1A2TDP1
SCHEMBL25143816 0.82 MEN1 (0.43) EPHX2MEN1ALDH1A1KMT2AKCNQ3
SCHEMBL12530792 0.82 GAA (0.36) MEN1ALDH1A1KMT2AKCNQ3KCNQ2
SCHEMBL22473034 0.82 PIK3CD (0.41) PIK3CDEPHX2EPHX1CYP1A2TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES MERCK SHARP & DOHME LLC (US) 2024-02-29 US disclosed
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES MERCK SHARP & DOHME LLC (US) 2024-02-29 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230142839-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC. (US) 2023-05-11 US disclosed
US-20230142839-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC. (US) 2023-05-11 US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 US disclosed
US-20230054782-A1 BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES MERCK SHARP & DOHME LLC (US) 2023-02-23 US disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US disclosed
US-7973041-B2 Antiarthritic agents; psoriasis; anticancer agents;antiallergens; metalloprotease inhibitors. INCYTE CORPORATION (US) 2011-07-05 US disclosed
US-20110160196-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2011-06-30 US disclosed
US-20110034689-A1 N4-Phenyl-Quinazoline-4-Amine Derivatives and Related Compounds as ErbB Type I Receptor Tyrosine Kinase Inhibitors for the Treatment of Hyperproliferative Diseases ARRAY BIOPHARMA, INC. 2011-02-10 US disclosed
US-20110034689-A1 N4-Phenyl-Quinazoline-4-Amine Derivatives and Related Compounds as ErbB Type I Receptor Tyrosine Kinase Inhibitors for the Treatment of Hyperproliferative Diseases ARRAY BIOPHARMA, INC. 2011-02-10 US disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed
US-20080293704-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases LNCYTE CORPORATION (US) 2008-07-10 US disclosed
WO-2005037826-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2005-04-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885EPHX2 1456/4885EPHX1 1290/4885
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF PIK3CD 27/4885EPHX2 1868/4885EPHX1 1759/4885
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP14, MMP9 PIK3CD 3432/4885EPHX2 334/4885EPHX1 450/4885
US-20080293704-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 PIK3CD 1373/4885EPHX2 422/4885EPHX1 250/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 PIK3CD 632/4885EPHX2 2891/4885EPHX1 3853/4885
US-20110034689-A1 N4-Phenyl-Quinazoline-4-Amine Derivatives and Related Compounds as ErbB Type I Receptor Tyrosine Kinase Inhibitors for the Treatment of Hyperproliferative Diseases ERBB4, ERBB2, ERBB3 PIK3CD 426/4885EPHX2 2641/4885EPHX1 1586/4885
US-20110160196-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PIK3CD 1373/4885EPHX2 422/4885EPHX1 250/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885EPHX2 1456/4885EPHX1 1290/4885
US-20230142839-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ERBB4, ERBB2, ERBB3 PIK3CD 426/4885EPHX2 2641/4885EPHX1 1586/4885
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES TLR7, MALT1, PNPO PIK3CD 1772/4885EPHX2 1256/4885EPHX1 604/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB PIK3CD 64/4885EPHX2 2974/4885EPHX1 2711/4885
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 PIK3CD 3479/4885EPHX2 2760/4885EPHX1 545/4885
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases MMP25, MMP9, MMP24 PIK3CD 3166/4885EPHX2 337/4885EPHX1 410/4885
US-20230054782-A1 BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES ZC3HAV1, HDAC11, CXCR1 PIK3CD 3374/4885EPHX2 807/4885EPHX1 983/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.