SCHEMBL12653222

SCHEMBL12653222

CC(C)(C)NSc1ccccc1-c1ccc2[nH]c(C3CC3c3ccc(C(F)(F)F)cc3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.37
▸ LPAR2 Q9HBW0 1/20 0.35
▸ TRPV1 Q8NER1 10/20 0.34
▸ KDM1A O60341 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ FFAR1 O14842 4/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL12359141 0.86 ROCK2 (0.38) ROCK2LPAR2TRPV1KDM1AMAOB
SCHEMBL1796813 0.82 TRPV1 (0.52) ROCK2LPAR2TRPV1
SCHEMBL1798128 0.82 TRPV1 (0.52) ROCK2LPAR2TRPV1
SCHEMBL1800653 0.82 TRPV1 (0.52) ROCK2LPAR2TRPV1
SCHEMBL1796567 0.82 TRPV1 (0.52) ROCK2LPAR2TRPV1
SCHEMBL1802866 0.82 TRPV1 (0.52) ROCK2LPAR2TRPV1
SCHEMBL1796691 0.82 ALOX5AP (0.44) TRPV1
SCHEMBL1800337 0.81 CHUK (0.40) ROCK2LPAR2TRPV1KDM1ANPY5R
SCHEMBL1797782 0.81 POLB (0.45) ROCK2TRPV1NPY5R
SCHEMBL1795611 0.81 TRPV1 (0.51) ROCK2LPAR2TRPV1

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-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 — — US disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 — — 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-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 ROCK2 4179/4885LPAR2 2477/4885TRPV1 29/4885

“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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