SCHEMBL4840543

SCHEMBL4840543

CC(C)(C)OC(=O)N1C(C(=O)O)CC2CCCC[C@@H]21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ACE P12821 7/20 0.44
PREP P48147 4/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL14053968 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ACEPREP
SCHEMBL1850656 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ACEPREP
SCHEMBL27272428 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ACEPREP
SCHEMBL17031906 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ACEPREP
SCHEMBL1336739 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ACEPREP
SCHEMBL3050914 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ACEPREP
SCHEMBL8337646 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ACEPREP
SCHEMBL4847115 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ACEPREP
SCHEMBL14865498 0.99 CHRM2 (0.44) CHRM2CHRM1CHRM3ACEPREP
Cesium SCHEMBL8725844 0.99 CHRM2 (0.44) CHRM2CHRM1CHRM3ACEPREP

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349945-B HCV inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2021-10-29 CN disclosed
CN-108349907-B 1,4(1,4) -diphenylheterocycle hexa-tomato-12,43-diyl derivatives, process for their preparation and their use 江苏豪森药业集团有限公司 2021-08-31 CN disclosed
CN-105801467-A Subsituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heterapahanes and meatllocenes useful for treating HCV infections 艾其林医药公司 2016-07-27 CN disclosed
CN-103561739-B Substituted aliphatics, cyclophenes, isophenes, heteroarenes, hetero-isophenes and metallocenes useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2016-03-02 CN disclosed
CN-103561739-A Substituted aliphatics, cyclophenes, isophenes, heteroarenes, hetero-isophenes and metallocenes useful for treating HCV infections ACHILLION PHARMACEUTICALS INC 2014-02-05 CN disclosed
US-7439036-B2 Process for producing optically active octahydro-1H-indole-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-21 US disclosed
EP-1536017-B1 Process for producing optically active octahydro-1H-indole-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2007-04-18 EP disclosed
EP-1615885-A1 B -FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS Warner-Lambert Company LLC (US) 2006-01-18 EP disclosed
EP-1536017-A2 Process for producing optically active octahydro-1H-indole-2-carboxylic acid Sumitomo Chemical Company, Limited (JP) 2005-06-01 EP disclosed
US-20050106690-A1 Process for producing optically active octahydro-1H-indole-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED 2005-05-19 US disclosed
WO-2004092132-A1 [B]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 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 (1 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-20050106690-A1 Process for producing optically active octahydro-1H-indole-2-carboxylic acid IDO1, IDO2, APEH CHRM2 478/4885CHRM1 235/4885CHRM3 473/4885

“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.