SCHEMBL920947

SCHEMBL920947

CC(CN)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.50
CYP2A6 P11509 2/20 0.50
HTR2A P28223 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
TSHR P16473 1/20 0.46
MAOA P21397 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
POLB P06746 1/20 0.44
ANPEP P15144 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
AOC3 Q16853 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
SCHEMBL13530947 1.00 TAAR1 (0.50) TAAR1CYP2A6HTR2ASMN1; SMN2LOXL2
SCHEMBL921304 0.88 MAOA (0.52) TAAR1CYP2A6HTR2ASMN1; SMN2LOXL2
SCHEMBL4785593 0.86 TSHR (0.52) SMN1; SMN2TSHRPOLB
SCHEMBL919960 0.85 HTR2A (0.54) TAAR1CYP2A6HTR2ASMN1; SMN2LOXL2
SCHEMBL22340602 0.81 TAAR1 (0.40) TAAR1CYP2A6HTR2ASMN1; SMN2
SCHEMBL13537160 0.81 TAAR1 (0.56) TAAR1CYP2A6
SCHEMBL3082123 0.80 SIGMAR1 (0.52) TAAR1CYP2A6TSHRMAOASLC6A2
SCHEMBL598729 0.80 TSHR (0.47) SMN1; SMN2TSHRPOLB
SCHEMBL2127822 0.79 TAAR1 (0.54) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL28944039 0.79 SLC6A2 (0.52) TAAR1CYP2A6TSHRMAOASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115772312-A Epoxy resin material and preparation method thereof 株洲时代新材料科技股份有限公司 2023-03-10 CN claimed
CN-115772312-A Epoxy resin material and preparation method thereof 株洲时代新材料科技股份有限公司 2023-03-10 CN disclosed
CN-105517999-B IDO inhibitors 百时美施贵宝公司 2019-06-28 CN disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-5763631-A CIS-EPOXIDE COMPOUNDS; ANTIVIRUS AGENTS; USEFUL TO TREAT THE AIDS LUCKY LIMITED (KR) 1998-06-09 US disclosed
US-5744621-A CIS-EPOXIDE COMPOUNDS LUCKY LIMITED. (KR) 1998-04-28 US disclosed
EP-0601486-B1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD (KR) 1997-10-29 EP disclosed
US-5587388-A AIDS; VIRICIDES LUCKY LIMITED (KR) 1996-12-24 US disclosed
EP-0601486-A1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD. (KR) 1994-06-15 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 (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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX TAAR1 3001/4885CYP2A6 3100/4885HTR2A 4686/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 TAAR1 2785/4885CYP2A6 3797/4885HTR2A 4680/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 TAAR1 1429/4885CYP2A6 4047/4885HTR2A 3803/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 TAAR1 4780/4885CYP2A6 3430/4885HTR2A 4563/4885

“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.