SCHEMBL12350598

SCHEMBL12350598

Cc1ccc(C2CC2c2nc3cc(-c4ccccc4CO)ccc3[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 5/20 0.39
▸ HCRTR2 O43614 5/20 0.39
▸ MAP4K1 Q92918 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ PDE10A Q9Y233 4/20 0.36
▸ BACE1 P56817 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ DHODH Q02127 2/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ ABL1 P00519 1/20 0.32

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
SCHEMBL1796478 0.87 TRPV1 (0.40) MAP4K1TRPV1ROCK2
SCHEMBL12350593 0.86 KDM1A (0.42) HCRTR1HCRTR2TRPV1PDE10AROCK2
SCHEMBL2934599 0.84 TRPV1 (0.35) HCRTR1HCRTR2MAP4K1TRPV1PDE10A
SCHEMBL12350594 0.83 TRPV1 (0.42) HCRTR1HCRTR2TRPV1PDE10ATRPA1
SCHEMBL12350627 0.83 TRPV1 (0.42) HCRTR1HCRTR2TRPV1PDE10ATRPA1
SCHEMBL12350625 0.83 TRPV1 (0.42) HCRTR1HCRTR2TRPV1PDE10ATRPA1
SCHEMBL12350621 0.83 TRPV1 (0.42) HCRTR1HCRTR2TRPV1PDE10ATRPA1
SCHEMBL12350618 0.83 TRPV1 (0.42) HCRTR1HCRTR2TRPV1PDE10ATRPA1
SCHEMBL12350612 0.82 HCRTR1 (0.45) HCRTR1HCRTR2MAP4K1TRPV1PDE10A
SCHEMBL12350616 0.81 ROCK2 (0.36) HCRTR1HCRTR2TRPV1PDE10ABACE1

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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
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 (2 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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 HCRTR1 3055/4885HCRTR2 3386/4885MAP4K1 2256/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 HCRTR1 3055/4885HCRTR2 3386/4885MAP4K1 2256/4885

“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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