SCHEMBL3765809

SCHEMBL3765809

O=C(Nc1cccnc1)N1CCC(c2nc(-c3cccc(F)c3)cs2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.53
FAAH O00519 7/20 0.49
CSNK1E P49674 1/20 0.49
NPC1 O15118 1/20 0.48
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ROCK1 Q13464 1/20 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
Hydrochloric Acid SCHEMBL3771784 0.99 TRPV1 (0.53) TRPV1FAAHCSNK1ENPC1CYP1A1
SCHEMBL3774294 0.90 TRPV1 (0.54) TRPV1FAAHMAPTMAPK1LMNA
SCHEMBL3766417 0.89 FAAH (0.61) TRPV1FAAHNPC1MAPTLMNA
SCHEMBL3768185 0.87 FAAH (0.61) TRPV1FAAHNPC1MAPTMAPK1
SCHEMBL13294969 0.85 CSNK1E (0.50) TRPV1FAAHCSNK1ENPC1TAAR1
SCHEMBL3766125 0.84 FAAH (0.61) TRPV1FAAHCSNK1E
SCHEMBL3761629 0.84 TRPV1 (0.48) TRPV1FAAHCSNK1ENPC1MAPT
SCHEMBL3766263 0.84 FAAH (0.52) TRPV1FAAHNPC1ALDH1A1SMN1; SMN2
SCHEMBL3761029 0.84 FAAH (0.63) TRPV1FAAHCSNK1ECYP1A2MAPT
SCHEMBL16391926 0.81 TRPV1 (0.56) TRPV1FAAHNPC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 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 (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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 TRPV1 87/4885FAAH 1/4885CSNK1E 2733/4885

“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.