SCHEMBL607846

SCHEMBL607846

CC(N)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.48
SLC6A2 P23975 3/20 0.48
TAAR1 Q96RJ0 3/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP2D6 P10635 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
FDPS P14324 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
SCHEMBL1152085 1.00 TRPA1 (0.48) TRPA1SLC6A2TAAR1MAOASLC6A4
Hydrochloric Acid SCHEMBL8841084 0.98 TRPA1 (0.47) TRPA1SLC6A2TAAR1MAOASLC6A4
Hydrochloric Acid SCHEMBL8841085 0.98 TRPA1 (0.47) TRPA1SLC6A2TAAR1MAOASLC6A4
SCHEMBL1153370 0.84 TRPA1 (0.50) TRPA1SLC6A2TAAR1MAOASLC6A4
SCHEMBL1153368 0.84 TRPA1 (0.50) TRPA1SLC6A2TAAR1MAOASLC6A4
SCHEMBL4445459 0.83 TRPA1 (0.52) TRPA1SLC6A2TAAR1MAOASLC6A4
SCHEMBL1153511 0.81 LNPEP (0.44) TRPA1SLC6A2TAAR1MAOASLC6A4
SCHEMBL1153513 0.81 LNPEP (0.44) TRPA1SLC6A2TAAR1MAOASLC6A4
SCHEMBL1153783 0.80 SLC6A2 (0.50) TRPA1SLC6A2TAAR1MAOASLC6A4
SCHEMBL1153780 0.80 SLC6A2 (0.50) TRPA1SLC6A2TAAR1MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
EP-1958940-B1 CONDENSATION REACTION BY METAL CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2013-06-26 EP disclosed
CN-101528673-B Method for producing asymmetric copper complex crystal SUMITOMO CO LTD 2012-08-01 CN disclosed
US-8153830-B2 Production method of asymmetric copper complex crystal SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-10 US disclosed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
US-7943799-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST MASHIMA KAZUSHI 2011-04-28 US disclosed
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 US disclosed
US-7888513-B2 Condensation reaction by metal catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-15 US disclosed
CN-1898196-A Process for producing optically active cycloalkylidenebisoxazoline compound and intermediate of the compound SUMITOMO CHEMICAL CO (JP) 2007-01-17 CN disclosed
CN-1898193-A Method for producing optically active bisamidealcohol compound SUMITOMO CHEMICAL CO (JP) 2007-01-17 CN disclosed
EP-1698617-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENE BISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed
EP-0485069-B1 Process for producing optically active amines SUMITOMO CHEMICAL CO (JP) 1995-02-15 EP disclosed
US-5200561-A PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-04-06 US disclosed
EP-0485069-A1 Process for producing optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-13 EP disclosed
EP-0075868-A2 Optically active amino alcohols and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-04-06 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 (3 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-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 TRPA1 467/4885SLC6A2 4608/4885TAAR1 1228/4885
US-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST C9, CBR3, C1R TRPA1 1410/4885SLC6A2 4602/4885TAAR1 571/4885
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 TRPA1 2533/4885SLC6A2 4293/4885TAAR1 2357/4885

“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.