SCHEMBL654813

SCHEMBL654813

CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
TET3 O43151 2/20 0.59
FBXL19 Q6PCT2 2/20 0.59
CXXC5 Q7LFL8 2/20 0.59
KDM2B Q8NHM5 2/20 0.59
CXXC4 Q9H2H0 2/20 0.59
KDM2A Q9Y2K7 2/20 0.59
MEN1 O00255 3/20 0.54
TSHR P16473 2/20 0.53
ALOX15 P16050 1/20 0.53
ATM Q13315 1/20 0.53
STS P08842 2/20 0.50
TET1 Q8NFU7 1/20 0.46
HSD11B1 P28845 3/20 0.46
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DRD2 P14416 1/20 0.45
OPRD1 P41143 1/20 0.44

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
SCHEMBL191573 0.92 KMT2A (0.53) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL653532 0.90 KMT2A (0.54) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL654889 0.88 KMT2A (0.53) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL972474 0.88 TSHR (0.65) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL654744 0.87 KMT2A (0.52) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL28028621 0.87 TSHR (0.56) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL12988312 0.87 TSHR (0.53) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL396197 0.87 TSHR (0.53) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL12497627 0.86 TSHR (0.47) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL4431260 0.86 KMT2A (0.51) KMT2ATET3FBXL19CXXC5KDM2B

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 94 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
CN-115485276-B Deuterated AKT kinase inhibitors 南京正大天晴制药有限公司 2024-05-31 CN disclosed
CN-117964620-A AKT inhibitors 南京正大天晴制药有限公司 2024-05-03 CN disclosed
CN-113272304-B AKT inhibitors 南京正大天晴制药有限公司 2024-03-29 CN disclosed
CN-110088093-B Acyl sulfonamide nav1.7 inhibitors 百时美施贵宝公司 2023-06-13 CN disclosed
CN-115485276-A Deuterated AKT kinase inhibitors 南京正大天晴制药有限公司 2022-12-16 CN disclosed
EP-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
EP-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
CN-113272304-A AKT inhibitors 南京正大天晴制药有限公司 2021-08-17 CN disclosed
EP-3421471-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2021-05-26 EP 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
US-20060128752-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-15 US 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 (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-20060128752-A1 Chemical compounds HTR7, NPSR1, TACR2 KMT2A 3763/4885TET3 2851/4885FBXL19 1705/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 KMT2A 4640/4885TET3 4862/4885FBXL19 4671/4885
US-20070088036-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 KMT2A 4268/4885TET3 4570/4885FBXL19 3505/4885
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 KMT2A 1082/4885TET3 519/4885FBXL19 4839/4885

“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.