SCHEMBL13237014

SCHEMBL13237014

CCc1nc(C)c(-c2ccccc2CC)s1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.53
COMT P21964 1/20 0.49
GPR52 Q9Y2T5 2/20 0.40
DHFR P00374 1/20 0.40
MAPK14 Q16539 3/20 0.37
PLAT P00750 1/20 0.37
TRPA1 O75762 1/20 0.36
KCNN4 O15554 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL16433936 0.85 COMT (0.50) OPRM1COMTGPR52MAPK14KDM4E
SCHEMBL13216163 0.80 KDM4E (0.43) OPRM1COMTGPR52MAPK14KDM4E
SCHEMBL12597764 0.80 COMT (0.46) OPRM1COMTMAPK14PLATTRPA1
SCHEMBL10271986 0.77 COMT (0.53) OPRM1COMTMAPK14KDM4EALDH1A1
SCHEMBL13216162 0.77 SLC6A3 (0.44) OPRM1COMTKDM4EALDH1A1HPGD
SCHEMBL18550724 0.74 NPY5R (0.47) OPRM1DHFRKDM4EALDH1A1HPGD
SCHEMBL14364221 0.72 COMT (0.48) OPRM1COMTMAPK14PLAT
SCHEMBL8205308 0.69 MAPK14 (0.62) OPRM1COMTMAPK14
SCHEMBL14960139 0.69 DHFR (0.42) DHFRTRPA1KDM4EALDH1A1HPGD
SCHEMBL198461 0.69 CSNK2A2 (0.52) DHFRTRPA1KCNN4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210618-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 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 (1 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-20100210618-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, NAT1 OPRM1 375/4885COMT 2749/4885GPR52 1757/4885

“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.