SCHEMBL3384639

SCHEMBL3384639

COc1ccc(C(N)CCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 1/20 0.53
ESR2 Q92731 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SLC6A4 P31645 1/20 0.48
AOC3 Q16853 3/20 0.47
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
SLC2A1 P11166 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GRM8 O00222 1/20 0.42

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
SCHEMBL6937040 1.00 CYP1A2 (0.59) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
SCHEMBL6868397 0.86 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
SCHEMBL1439841 0.84 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
SCHEMBL1554077 0.84 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
SCHEMBL1439844 0.84 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7600257 0.82 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL15511514 0.82 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7595427 0.82 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
SCHEMBL13115768 0.82 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
SCHEMBL701930 0.82 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2023-03-23 US disclosed
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 CN disclosed
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
EP-1487442-B1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR MERCK SERONO SA (CH) 2010-12-01 EP disclosed
CN-100484524-C Thiazolidine carboxamide derivatives as modulators of the prostaglandin receptor APPLIED RESEARCH SYSTEMS (CH) 2009-05-06 CN disclosed
EP-1470138-B1 MMP INHIBITORS LEO PHARMA AS (DK) 2006-01-18 EP disclosed
CN-1655780-A Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor APPLIED RESEARCH SYSTEMS (AN) 2005-08-17 CN disclosed
EP-1470138-A1 MMP INHIBITORS Leo Pharma A/S (DK) 2004-10-27 EP disclosed
US-6784169-B2 METALLOPROTEASE INHIBITOR; ANTIINFLAMAMTORY AGENTS; RHEUMATIC DISORDERS; CARDIOVASCULAR DISORDERS; CONTROLLING CELL PROLIFERATION LEO PHARMACETICAL PRODUCTS LTD. (DK) 2004-08-31 US disclosed
US-20030191092-A1 MMP inhibitors CHRISTENSEN METTE KNAK (DK) 2003-10-09 US disclosed
WO-2003059921-A1 MMP INHIBITORS LEO PHARMA A/S (DK) 2003-07-24 WO disclosed
EP-0918059-B1 Substituted imidazoline derivatives, their preparation, their use, and pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-06-25 EP disclosed
US-6521654-B2 For therapy and prophylaxis of rheumatoid arthritis, or of allergic disorders, asthma, inflammation; inhibitors of the adhesion and migration of leucocytes and/or antagonists of adhesion receptor VLA-4 belonging to the integrins group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-02-18 US disclosed
US-20020143043-A1 Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations including them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-10-03 US disclosed
US-6331552-B1 THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISORDERS, FOR EXAMPLE OF RHEUMATOID ARTHRITIS, OR OF ALLERGIC DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-18 US disclosed
EP-0918059-A1 Substituted imidazoline derivatives, their preparation, their use, and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-26 EP 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 (5 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK CYP1A2 191/4885CYP2D6 173/4885CYP2C19 139/4885
US-20020143043-A1 Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations including them VCAM1, ITGA1, ITGA4 CYP1A2 1137/4885CYP2D6 1024/4885CYP2C19 1152/4885
US-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES HAVCR2, HCCS, TYMP CYP1A2 338/4885CYP2D6 212/4885CYP2C19 545/4885
US-20030191092-A1 MMP inhibitors MMP11, MMP1, MMP13 CYP1A2 1285/4885CYP2D6 421/4885CYP2C19 1214/4885
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE PDE3A, PDE2A, PDE5A CYP1A2 659/4885CYP2D6 1483/4885CYP2C19 1210/4885

“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.