SCHEMBL4307322

SCHEMBL4307322

COC(=O)C1CC2CCCCC2N1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.44
ALDH1A1 P00352 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
PREP P48147 2/20 0.40
MAPK1 P28482 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL5772237 1.00 CYP3A4 (0.44) CYP3A4ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL24866707 0.97 CHRM2 (0.43) CYP3A4ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL4301744 0.97 CHRM2 (0.43) CYP3A4ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL24866499 0.97 CHRM2 (0.43) CYP3A4ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL4795338 0.92 CHRM2 (0.45) CYP3A4ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL4800732 0.88 CHRM2 (0.42) CHRM2CHRM1CHRM3PREPEPHX1
SCHEMBL6363549 0.87 CYP3A4 (0.46) CYP3A4ALDH1A1MAPTKDM4EPREP
SCHEMBL5798107 0.87 CYP3A4 (0.46) CYP3A4ALDH1A1MAPTKDM4EPREP
SCHEMBL5796713 0.87 CYP3A4 (0.46) CYP3A4ALDH1A1MAPTKDM4EPREP
SCHEMBL1336739 0.86 CHRM2 (0.45) CYP3A4CHRM2CHRM1CHRM3PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281331-A1 METHOD OF PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDITION SALT THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-12 US disclosed
EP-2014648-A1 PROCESS FOR PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDUCT SALT THEREOF Sumitomo Chemical Company, Limited (JP) 2009-01-14 EP 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090281331-A1 METHOD OF PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDITION SALT THEREOF C9, NPPA, ADH1C CYP3A4 1867/4885ALDH1A1 372/4885CHRM2 1427/4885
US-20050106690-A1 Process for producing optically active octahydro-1H-indole-2-carboxylic acid IDO1, IDO2, APEH CYP3A4 365/4885ALDH1A1 148/4885CHRM2 478/4885

“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.