SCHEMBL21276161

SCHEMBL21276161

O=C(c1cnn(C(=O)N2CC3CN(Cc4cccc(C(F)(F)F)c4)CC3C2)c1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.46
FAAH O00519 1/20 0.46
CNR2 P34972 2/20 0.45
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RHOA P61586 1/20 0.43
POLB P06746 1/20 0.43
TEAD1 P28347 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
SCHEMBL21276123 0.92 FAAH (0.47) FAAHALDH1A1HPGDPOLB
SCHEMBL20557986 0.88 FAAH (0.44) FAAHPOLB
SCHEMBL21276213 0.88 FAAH (0.58) FAAH
SCHEMBL20558151 0.86 FAAH (0.47) FAAH
SCHEMBL21276338 0.85 FAAH (0.52) FAAH
SCHEMBL20558104 0.84 USP2 (0.51) ALDH1A1
SCHEMBL21276222 0.83 CACNA1B (0.46) FAAHALDH1A1
SCHEMBL21276138 0.83 FAAH (0.43) FAAH
SCHEMBL21257976 0.81 FAAH (0.61) FAAH
SCHEMBL21276154 0.80 FAAH (0.60) FAAH

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-10385057-B2 Pyrazole compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2019-08-20 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-10385057-B2 Pyrazole compounds and methods of making and using same FAAH, FAAH2, MGLL GPR52 3263/4885FAAH 1/4885CNR2 4/4885

“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.