SCHEMBL20088443

SCHEMBL20088443

Cc1cc(CNC(=O)CC2(N)CCCCC2)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CCR2 P41597 6/20 0.41
▸ TACR1 P25103 3/20 0.41
▸ MTOR P42345 2/20 0.41
▸ MLYCD O95822 1/20 0.40
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL15844527 0.92 CYP3A4 (0.49) CYP3A4CYP2C19CYP2C9CCR2TACR1
SCHEMBL17342647 0.79 CYP3A4 (0.54) CYP3A4CYP2C19CYP2C9CCR2TACR1
SCHEMBL20088438 0.79 TACR1 (0.49) TACR1MTORMLYCD
SCHEMBL20088441 0.76 TACR1 (0.50) TACR1MTORMLYCD
SCHEMBL4539298 0.76 NAMPT (0.52) CYP3A4CYP2C19CYP2C9
SCHEMBL20088445 0.74 TACR1 (0.47) TACR1MTORMLYCD
SCHEMBL25780517 0.73 MTOR (0.46) CCR2TACR1MTORMLYCD
SCHEMBL17437580 0.73 SCN9A (0.42) CYP3A4CYP2C19CYP2C9
SCHEMBL15244712 0.71 TRPV3 (0.59) CYP3A4CYP2C19CYP2C9
SCHEMBL21565748 0.71 TACR1 (0.53) CCR2TACR1MTORMLYCD

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-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2018-04-26 — — 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-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 CYP3A4 749/4885CYP2C19 550/4885CYP2C9 699/4885

“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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