SCHEMBL654814

SCHEMBL654814

CC(C)(C)OC(=O)C1(c2ccc(Cl)cc2)CCN(C(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
KMT2A Q03164 2/20 0.49
TET3 O43151 1/20 0.49
FBXL19 Q6PCT2 1/20 0.49
CXXC5 Q7LFL8 1/20 0.49
KDM2B Q8NHM5 1/20 0.49
CXXC4 Q9H2H0 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49
HSD11B1 P28845 8/20 0.46
DRD2 P14416 5/20 0.45
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 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
SCHEMBL3106923 0.88 TSHR (0.53) OPRM1KMT2ATET3FBXL19CXXC5
SCHEMBL3104298 0.87 OPRM1 (0.50) OPRM1KMT2AHSD11B1TSHRALOX15
SCHEMBL14161293 0.83 HSD11B1 (0.50) OPRM1HSD11B1DRD2
SCHEMBL17502832 0.83 HDAC4 (0.54) OPRM1HSD11B1DRD2
SCHEMBL654744 0.82 KMT2A (0.52) OPRM1KMT2ATET3FBXL19CXXC5
SCHEMBL654813 0.82 KMT2A (0.59) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL349139 0.82 NPSR1 (0.47) KMT2ATSHRMEN1
SCHEMBL2924676 0.80 OPRM1 (0.54) OPRM1TSHRALOX15ATM
SCHEMBL3931269 0.80 KMT2A (0.71) OPRM1KMT2ATET3FBXL19CXXC5
SCHEMBL191573 0.80 KMT2A (0.53) OPRM1KMT2ATET3FBXL19CXXC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3719018-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2025-08-27 EP disclosed
EP-3421471-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2021-05-26 EP disclosed
EP-3719018-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Ltd (GB) 2020-10-07 EP disclosed
EP-3421471-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2019-01-02 EP disclosed
EP-2272517-B2 ORTHO -CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2017-09-20 EP disclosed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
US-9006430-B2 Ortho-condensed pyridine and pyrimidine derivatives (e.g., purines) as protein ASTEX THERAPEUTICS LIMITED (GB) 2015-04-14 US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
US-20140303177-A1 ORTHO-CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G., PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-10-09 US disclosed
WO-2007073432-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-06-28 WO disclosed
WO-2007044804-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 WO disclosed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 US disclosed
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2007-03-15 US disclosed
WO-2006136829-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
EP-1688418-A2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-09 EP disclosed
WO-2006046024-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-04 WO disclosed
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-31 US disclosed
EP-1448566-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-08-25 EP disclosed
WO-2003045942-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-06-05 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 (6 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-20140303177-A1 ORTHO-CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G., PURINES) AS PROTEIN KINASES INHIBITORS CDK2, CDK1, CDK3 OPRM1 611/4885KMT2A 1475/4885TET3 2705/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 OPRM1 549/4885KMT2A 4568/4885TET3 4823/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 OPRM1 443/4885KMT2A 4640/4885TET3 4862/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 OPRM1 549/4885KMT2A 4568/4885TET3 4823/4885
US-20070088036-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 OPRM1 33/4885KMT2A 4268/4885TET3 4570/4885
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation THPO, NFATC1, HPGDS OPRM1 268/4885KMT2A 1082/4885TET3 519/4885

“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.