SCHEMBL12359093

SCHEMBL12359093

C=C(O)c1ccccc1-c1ccc2[nH]c(C3CC3c3ccc(OCC(F)(F)CF)cc3)nc2c1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HCRTR1 O43613 3/20 0.31
▸ HCRTR2 O43614 3/20 0.31
▸ ROCK2 O75116 3/20 0.30
▸ PRCP P42785 1/20 0.30

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
SCHEMBL12653207 0.91 SCN9A (0.37) HCRTR1HCRTR2ROCK2PRCP
SCHEMBL12358862 0.84 HCRTR1 (0.41) RAB9AHCRTR1HCRTR2ROCK2
SCHEMBL12359095 0.83 TRPV1 (0.43) —
SCHEMBL1796434 0.82 TRPV1 (0.41) HCRTR1HCRTR2PRCP
SCHEMBL12359099 0.81 TRPV1 (0.42) —
SCHEMBL1797801 0.81 TRPV1 (0.38) HCRTR1HCRTR2ROCK2PRCP
SCHEMBL12359252 0.79 KDM1A (0.39) MEN1KMT2AHCRTR1HCRTR2ROCK2
SCHEMBL12358812 0.78 SCD (0.36) HCRTR1HCRTR2ROCK2
SCHEMBL1797448 0.78 TRPV1 (0.42) PRCP
SCHEMBL1797547 0.77 TRPV1 (0.41) MEN1KMT2APRCP

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-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — 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-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 MEN1 3925/4885RAB9A 3985/4885KMT2A 3420/4885

“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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