SCHEMBL919960

SCHEMBL919960

CC(CCN)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.54
TAAR1 Q96RJ0 3/20 0.54
CYP2A6 P11509 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.54
MAOA P21397 2/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HRH1 P35367 1/20 0.45
TSHR P16473 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
POLB P06746 1/20 0.43
ANPEP P15144 2/20 0.43
ERAP1 Q9NZ08 2/20 0.43

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
SCHEMBL4785593 0.89 TSHR (0.52) SMN1; SMN2CYP1A2CYP2C19TSHRPOLB
SCHEMBL920947 0.85 TAAR1 (0.50) HTR2ATAAR1CYP2A6SMN1; SMN2LOXL2
SCHEMBL13530947 0.85 TAAR1 (0.50) HTR2ATAAR1CYP2A6SMN1; SMN2LOXL2
SCHEMBL21339840 0.83 HTR2A (0.54) HTR2ATAAR1CYP2A6SMN1; SMN2LOXL2
SCHEMBL28944039 0.82 SLC6A2 (0.52) TAAR1CYP2A6MAOACYP2D6TSHR
SCHEMBL919465 0.81 TSHR (0.46) SMN1; SMN2CYP1A2CYP2C19TSHRSIGMAR1
SCHEMBL8524202 0.81 TAAR1 (0.56) HTR2ATAAR1CYP2A6SMN1; SMN2LOXL2
SCHEMBL11990712 0.81 TAAR1 (0.56) HTR2ATAAR1CYP2A6SMN1; SMN2LOXL2
SCHEMBL9427262 0.81 TSHR (0.46) SMN1; SMN2CYP1A2CYP2C19TSHRSIGMAR1
SCHEMBL920930 0.79 TSHR (0.49) SMN1; SMN2CYP1A2CYP2C19TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
WO-1997035859-A1 COMPOUNDS WITH A SULFAMOYL GROUP AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1997-10-02 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 (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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX HTR2A 4686/4885TAAR1 3001/4885CYP2A6 3100/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 HTR2A 4680/4885TAAR1 2785/4885CYP2A6 3797/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 HTR2A 3803/4885TAAR1 1429/4885CYP2A6 4047/4885

“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.