SCHEMBL1153513

SCHEMBL1153513

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 7/20 0.44
ANPEP P15144 1/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44
TRPA1 O75762 1/20 0.43
SLC6A2 P23975 3/20 0.42
TAAR1 Q96RJ0 3/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
LTA4H P09960 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL1153511 1.00 LNPEP (0.44) LNPEPANPEPRNPEPDNPEPTRPA1
SCHEMBL607846 0.81 TRPA1 (0.48) ANPEPTRPA1SLC6A2TAAR1MAOA
SCHEMBL1152085 0.81 TRPA1 (0.48) ANPEPTRPA1SLC6A2TAAR1MAOA
SCHEMBL1153713 0.79 KDM4E (0.59) ANPEPSLC6A2TAAR1MAOASLC6A4
SCHEMBL475673 0.79 KDM4E (0.59) ANPEPSLC6A2TAAR1MAOASLC6A4
SCHEMBL1153711 0.79 KDM4E (0.59) ANPEPSLC6A2TAAR1MAOASLC6A4
Hydrochloric Acid SCHEMBL8841084 0.79 TRPA1 (0.47) ANPEPTRPA1SLC6A2TAAR1MAOA
Hydrochloric Acid SCHEMBL8841085 0.79 TRPA1 (0.47) ANPEPTRPA1SLC6A2TAAR1MAOA
SCHEMBL1153370 0.78 TRPA1 (0.50) ANPEPTRPA1SLC6A2TAAR1MAOA
SCHEMBL1153368 0.78 TRPA1 (0.50) ANPEPTRPA1SLC6A2TAAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958940-B1 CONDENSATION REACTION BY METAL CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2013-06-26 EP 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
US-7842839-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
US-20090198070-A1 Condensation Reaction by Metal Catalyst OSAKA UNIVERSITY (JP) 2009-08-06 US disclosed
EP-1958940-A1 CONDENSATION REACTION BY METAL CATALYST Takasago International Corporation (JP) 2008-08-20 EP disclosed
US-20070112201-A1 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US disclosed
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced SUMITOMO CHEMICAL COMPANY, LIMITED 2007-05-03 US disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP 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-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 (5 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-20070112201-A1 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof CYP3A7, GRK7, CYP2A7 LNPEP 3841/4885ANPEP 2755/4885RNPEP 1684/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 LNPEP 3841/4885ANPEP 2755/4885RNPEP 1684/4885
US-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST C9, CBR3, C1R LNPEP 2702/4885ANPEP 1795/4885RNPEP 1658/4885
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced CCNL2, ARL1, ACSL3 LNPEP 2131/4885ANPEP 3234/4885RNPEP 3231/4885
US-20090198070-A1 Condensation Reaction by Metal Catalyst C9, CBR3, C1R LNPEP 2702/4885ANPEP 1795/4885RNPEP 1658/4885

“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.