SCHEMBL3026246

SCHEMBL3026246

O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCC2(CCNC2)C1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.66
▸ HSD17B10 Q99714 1/20 0.59
▸ CYP3A4 P08684 5/20 0.59
▸ USP2 O75604 2/20 0.59
▸ NAMPT P43490 8/20 0.57
▸ CYP2C19 P33261 2/20 0.56
▸ HDAC2 Q92769 1/20 0.52
▸ CYP2D6 P10635 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ EPHX2 P34913 2/20 0.50

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
SCHEMBL19158944 0.80 KMT2A (0.60) CYP3A4NAMPTCYP2C19CYP1A2EPHX2
SCHEMBL14934448 0.78 EPHX2 (0.76) CYP3A4CYP2C19EPHX2
SCHEMBL3021060 0.76 FAAH (0.59) ALDH1A1CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL3026581 0.76 CYP3A4 (0.49) ALDH1A1CYP3A4USP2CYP2C19CYP2D6
SCHEMBL25153745 0.75 HSD17B10 (0.73) ALDH1A1HSD17B10CYP3A4USP2NAMPT
SCHEMBL14934385 0.74 CYP2D6 (0.60) ALDH1A1HSD17B10CYP3A4USP2NAMPT
SCHEMBL14934437 0.74 EPHX2 (0.67) ALDH1A1HSD17B10CYP3A4USP2NAMPT
SCHEMBL3706054 0.72 NAMPT (1.00) NAMPT
SCHEMBL3702047 0.71 NAMPT (1.00) NAMPT
SCHEMBL28137409 0.70 KMT2A (0.55) ALDH1A1CYP3A4USP2CYP2C19CYP2D6

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-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 ALDH1A1 823/4885HSD17B10 2036/4885CYP3A4 2928/4885

“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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