SCHEMBL12876398

SCHEMBL12876398

CCC(=O)N1CCC(C(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.50
ALDH1A1 P00352 2/20 0.44
CHRNB2 P17787 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
NPC1 O15118 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42
EPHX1 P07099 1/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA7 P36544 1/20 0.41
CPN1 P15169 1/20 0.41
CPB2 Q96IY4 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL21561140 0.89 OPRM1 (0.44) EPHX2ALDH1A1
SCHEMBL24972572 0.88 CHRNB2 (0.44) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL19229731 0.88 CHRNB2 (0.44) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL2603234 0.86 ALDH1A1 (0.41) EPHX2ALDH1A1NPC1CPN1CPB2
SCHEMBL13245899 0.86 EPHX2 (0.49) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL12125442 0.84 CPN1 (0.58) EPHX2ALDH1A1NPC1CPN1CPB2
SCHEMBL24549763 0.84 ALDH1A1 (0.63) EPHX2ALDH1A1NPC1CPN1CPB2
SCHEMBL7919921 0.84 NPC1 (0.48) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL12384441 0.84 POLB (0.56) EPHX2ALDH1A1NPC1
SCHEMBL14018532 0.84 EPHX2 (0.47) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238423-A9 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. 2024-07-18 US disclosed
US-20240208964-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2024-06-27 US disclosed
US-20240208964-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2024-06-27 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 US disclosed
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-11753397-B2 Cereblon binders for the degradation of ikaros C4 THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-11753397-B2 Cereblon binders for the degradation of ikaros C4 THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
WO-2023096995-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(6-MEMBERED HETEROCYCLOALKYL)-2-METHYLPYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE ANALOGUES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-06-01 WO disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 US disclosed
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2016-02-18 US disclosed
US-9040516-B2 Uracil derivative and use thereof for medical purposes SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-05-26 US disclosed
US-8962642-B2 5-cyano-4- (pyrrolo [2,3B] pyridine-3-yl) -pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 US disclosed
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-06-26 US disclosed
US-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 US disclosed
US-8530489-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20110046131-A1 PURINES AS PKC-THETA INHIBITORS N.V. Organon and Pharmacopeia, LLC 2011-02-24 US disclosed
US-7786159-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2010-08-31 US disclosed
US-20080139621-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2008-06-12 US 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 (12 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A EPHX2 1339/4885ALDH1A1 983/4885CHRNB2 2107/4885
US-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 EPHX2 1685/4885ALDH1A1 3982/4885CHRNB2 3948/4885
US-20110046131-A1 PURINES AS PKC-THETA INHIBITORS PRKCQ, PRKCE, PRKCH EPHX2 1417/4885ALDH1A1 4413/4885CHRNB2 143/4885
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA EPHX2 994/4885ALDH1A1 576/4885CHRNB2 1155/4885
US-20240208964-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE PNPO, DPYD, PYGB EPHX2 1281/4885ALDH1A1 945/4885CHRNB2 297/4885
US-11753397-B2 Cereblon binders for the degradation of ikaros CRBN, IKZF1, IKZF3 EPHX2 4282/4885ALDH1A1 3363/4885CHRNB2 2549/4885
US-20080139621-A1 Thrombopoietin Mimetics MPL, THPO, TEK EPHX2 2108/4885ALDH1A1 2613/4885CHRNB2 4517/4885
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS HPGDS, PTGS1, PTGIS EPHX2 289/4885ALDH1A1 748/4885CHRNB2 4585/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA EPHX2 994/4885ALDH1A1 576/4885CHRNB2 1155/4885
US-20240238423-A9 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS BCL2A1, BCL2L1, BCL3 EPHX2 173/4885ALDH1A1 1138/4885CHRNB2 4577/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 EPHX2 1890/4885ALDH1A1 2776/4885CHRNB2 4503/4885
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES URB2, ELANE, NUDT1 EPHX2 938/4885ALDH1A1 171/4885CHRNB2 3796/4885

“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.