SCHEMBL10201439

SCHEMBL10201439

O=Cc1ccc(NC(=O)CCN2CCc3cc(F)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
CHRM2 P08172 3/20 0.47
CHRM4 P08173 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
ALDH1A1 P00352 2/20 0.46
ATM Q13315 1/20 0.45
ALOX5 P09917 5/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
KDM4A O75164 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
EPHX2 P34913 4/20 0.42

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
SCHEMBL1106550 0.84 CHRM2 (0.67) CYP1A2CYP3A4CYP2D6CYP2C19CHRM2
SCHEMBL1102139 0.74 LMNA (0.57) CYP1A2CYP3A4CYP2D6CYP2C19CHRM2
SCHEMBL1102069 0.74 SCN3A (0.55) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL21466987 0.71 CHRM2 (0.85) CYP2C19CHRM2CHRM4CHRM1CHRM3
SCHEMBL19173394 0.69 CHRM2 (0.54) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL1916615 0.69 POLB (0.56) ALDH1A1GAA
SCHEMBL3099778 0.68 ALOX5 (0.69) ALOX5GAAEPHX2KCNT1
SCHEMBL30794654 0.68 ALOX5 (0.69) ALOX5GAAEPHX2KCNT1
SCHEMBL3014379 0.67 NOTUM (0.46) CHRM2CHRM3ALDH1A1ALOX5KDM4A
SCHEMBL4780004 0.67 NOTUM (0.46) CHRM2CHRM3ALDH1A1ALOX5LMNA

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
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 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-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 CYP1A2 4265/4885CYP3A4 4308/4885CYP2D6 3854/4885

“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.