SCHEMBL21276239

SCHEMBL21276239

Cc1ccccc1CN1CCC2(CCN(C(=O)n3cc(C(F)(F)F)cn3)C2)C1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL20558039 0.90 USP2 (0.46) FAAHUSP2ALDH1A1CYP1A2CYP3A4
SCHEMBL21276143 0.90 FAAH (0.50) FAAH
SCHEMBL21276255 0.89 FAAH (0.53) FAAH
SCHEMBL21276130 0.88 CYP2D6 (0.62) USP2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21276225 0.86 FAAH (0.46) FAAHUSP2ALDH1A1CYP1A2CYP3A4
SCHEMBL21276267 0.85 MGLL (0.49) —
SCHEMBL21276242 0.84 MGLL (0.49) FAAH
SCHEMBL17276570 0.84 ALDH1A1 (0.55) ALDH1A1
SCHEMBL21276124 0.83 MCHR1 (0.50) USP2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL20556855 0.83 — —

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 FAAH 1/4885USP2 2128/4885ALDH1A1 1378/4885

“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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