SCHEMBL63806

SCHEMBL63806

NC(=O)C1(O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
CYP2D6 P10635 5/20 0.60
ALDH1A1 P00352 3/20 0.60
OPRL1 P41146 2/20 0.59
POLB P06746 1/20 0.58
CHRM2 P08172 2/20 0.55
CHRM3 P20309 1/20 0.55
CYP3A4 P08684 3/20 0.54
HSD17B10 Q99714 1/20 0.54
CCR3 P51677 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2C9 P11712 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL1147211 0.87 OPRL1 (0.63) TSHRCYP2D6ALDH1A1OPRL1POLB
Hydrochloric Acid SCHEMBL25235306 0.85 POLB (0.64) TSHRCYP2D6ALDH1A1OPRL1POLB
SCHEMBL27685588 0.84 SLC6A3 (0.53) TSHRCYP2D6CHRM2SIGMAR1MEN1
SCHEMBL3353596 0.84 ALDH1A1 (0.65) ALDH1A1OPRL1
SCHEMBL3955531 0.84 TSHR (0.63) TSHRCYP2D6ALDH1A1OPRL1POLB
SCHEMBL14716240 0.83 CYP2D6 (0.63) TSHRCYP2D6ALDH1A1OPRL1POLB
SCHEMBL2957008 0.83 TSHR (0.58) TSHRCYP2D6ALDH1A1OPRL1POLB
SCHEMBL11544321 0.82 OPRL1 (0.57) TSHRCYP2D6ALDH1A1OPRL1POLB
SCHEMBL14222028 0.82 CYP2D6 (0.55) TSHRCYP2D6ALDH1A1OPRL1CYP3A4
SCHEMBL476242 0.81 OPRL1 (0.60) TSHRCYP2D6ALDH1A1OPRL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4646263-A1 SPRK1 INHIBITORS AND METHODS OF USE Allianthera (Suzhou) Biopharmaceutical Co., Ltd. (CN) 2025-11-12 EP disclosed
WO-2024155864-A1 SPRK1 INHIBITORS AND METHODS OF USE ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2024-07-25 WO disclosed
EP-3468953-B1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE IP DEV LTD (GB) 2024-05-22 EP disclosed
CN-109563043-B Substituted pyridines as inhibitors of DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2022-05-31 CN disclosed
US-20210355115-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2021-11-18 US disclosed
US-20210355115-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2021-11-18 US disclosed
EP-3853212-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2021-07-28 EP disclosed
CN-113056455-A Isoxazole carboxamide compounds and uses thereof 诺华股份有限公司 2021-06-29 CN disclosed
US-10975056-B2 Substituted pyridines as inhibitors of DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
US-10975056-B2 Substituted pyridines as inhibitors of DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
WO-2005110416-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2005-11-24 WO disclosed
EP-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 EP disclosed
CN-1210265-C Phthalazine derivatives and remedies for erectile dysfunction EISAI CO LTD (JP) 2005-07-13 CN disclosed
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 US disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 WO disclosed
US-6699870-B2 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. (JP) 2004-03-02 US disclosed
US-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. 2003-06-05 US disclosed
US-6498159-B1 SUCH AS 4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-1-((4-HYDROXY-4 -HYDROXYMETHYL)PIPERIDINO)-6-PHTHALAZINE CARBONITRILE EISAI CO., LTD. (JP) 2002-12-24 US disclosed
EP-1057819-A1 PHTHALAZINE DERIVATIVES AND REMEDIES FOR ERECTILE DYSFUNCTION Eisai Co., Ltd. (JP) 2000-12-06 EP disclosed
CN-1275124-A Phthalazine derivatives and remedies for erectile dysfunction EISAI CO LTD (JP) 2000-11-29 CN 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 (4 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-20210355115-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF SLC26A4, ALDH5A1, SLC8B1 TSHR 1265/4885CYP2D6 2955/4885ALDH1A1 167/4885
US-10975056-B2 Substituted pyridines as inhibitors of DNMT1 DNMT1, DNMT3A, DNMT3B TSHR 539/4885CYP2D6 705/4885ALDH1A1 496/4885
US-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction CLIC1, CBR1, CBR3 TSHR 3875/4885CYP2D6 2072/4885ALDH1A1 410/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 TSHR 323/4885CYP2D6 655/4885ALDH1A1 1444/4885

“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.