SCHEMBL21276124

SCHEMBL21276124

Cc1cccc(CN2CCC3(CCN(C(=O)n4cc(C(F)(F)F)cn4)C3)C2)c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.50
▸ CHRM2 P08172 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ TSHR P16473 1/20 0.49

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
SCHEMBL21276150 0.92 USP2 (0.51) USP2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21257967 0.90 CYP3A4 (0.51) USP2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21257983 0.89 FAAH (0.53) USP2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21276267 0.89 MGLL (0.49) —
SCHEMBL21276318 0.89 CYP3A4 (0.51) MCHR1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL21276226 0.87 CYP3A4 (0.49) USP2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21276187 0.85 MGLL (0.52) —
SCHEMBL17276360 0.85 ALDH1A1 (0.54) —
SCHEMBL21257996 0.84 MGLL (0.50) USP2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21276239 0.83 FAAH (0.47) USP2CYP1A2CYP3A4CYP2D6TSHR

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 MCHR1 2471/4885CHRM2 3652/4885CHRM3 1354/4885

“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.

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