SCHEMBL20088472

SCHEMBL20088472

CN[C@@H](C(=O)NCc1cc(C)cc(C(F)(F)F)c1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.49
▸ CCR2 P41597 14/20 0.42
▸ MTOR P42345 1/20 0.42
▸ MLYCD O95822 1/20 0.41

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
SCHEMBL15844102 0.93 TACR1 (0.56) TACR1CCR2MTORMLYCD
SCHEMBL15844101 0.93 TACR1 (0.56) TACR1CCR2MTORMLYCD
SCHEMBL21565748 0.86 TACR1 (0.53) TACR1CCR2MTORMLYCD
SCHEMBL20088353 0.82 SCN9A (0.54) TACR1CCR2MTOR
SCHEMBL20088471 0.82 SCN9A (0.54) TACR1CCR2MTOR
SCHEMBL20088440 0.80 SCN9A (0.50) TACR1CCR2MTORMLYCD
SCHEMBL20088438 0.75 TACR1 (0.49) TACR1MTORMLYCD
SCHEMBL25780517 0.75 MTOR (0.46) TACR1CCR2MTORMLYCD
SCHEMBL15843891 0.75 SCN9A (0.57) TACR1CCR2MTORMLYCD
SCHEMBL15844420 0.75 SCN9A (0.57) TACR1CCR2MTORMLYCD

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 TACR1 1462/4885CCR2 3956/4885MTOR 2712/4885

“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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