SCHEMBL3018043

SCHEMBL3018043

O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC2(CCN(Cc3ccccc3)C2)C1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 13/20 0.65
▸ CYP3A4 P08684 4/20 0.58
▸ CYP1A2 P05177 3/20 0.58
▸ CYP2C19 P33261 3/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ ALDH1A1 P00352 3/20 0.56
▸ TSHR P16473 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ USP2 O75604 2/20 0.55

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
SCHEMBL3021060 0.94 FAAH (0.59) FAAHCYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL14934449 0.88 EPHX2 (0.65) —
SCHEMBL14934441 0.84 FAAH (0.63) FAAHCYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL896470 0.80 FAAH (1.00) FAAH
SCHEMBL14934576 0.79 FAAH (0.67) FAAHCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL15170980 0.78 ALDH1A1 (0.49) FAAHCYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL896545 0.78 FAAH (0.93) FAAH
SCHEMBL4692167 0.78 CYP2D6 (0.70) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL3026001 0.78 FAAH (0.67) FAAH
SCHEMBL2791789 0.77 CCR8 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013065712-A1 DIAZASPIROUREA DERIVATIVE AND PHARMACEUTICAL USE THEREOF 東レ株式会社 (JP) 2013-05-10 — — WO disclosed
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS R & D LIMITED (GB) 2010-08-12 — — 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-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS SCN1B, SCN2B, SCN1A FAAH 597/4885CYP3A4 2928/4885CYP1A2 2178/4885

“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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