SCHEMBL12350320

SCHEMBL12350320

CCOc1ccc(C#Cc2nc3cc(-c4ccccc4C(C)=O)ccc3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CHEK2 O96017 1/20 0.38
▸ ACACB O00763 3/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GUSB P08236 1/20 0.37

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
SCHEMBL1800627 0.89 TRPV1 (0.47) TRPV1RAB9ANPC1ALDH1A1DHODH
SCHEMBL12350332 0.88 TRPV1 (0.47) TRPV1ACACBDHODH
SCHEMBL1797235 0.87 TRPV1 (0.44) TRPV1DHODH
SCHEMBL1801530 0.86 TRPV1 (0.46) TRPV1RAB9ANPC1KDM4EMAPT
SCHEMBL1796996 0.84 TRPV1 (0.45) TRPV1RAB9ANPC1ACACBDHODH
SCHEMBL12350313 0.84 TRPV1 (0.45) TRPV1RAB9ANPC1ACACBDHODH
SCHEMBL12350324 0.83 TRPV1 (0.44) TRPV1RAB9ALMNANPC1KDM4E
SCHEMBL1797505 0.83 TRPV1 (0.46) TRPV1RAB9ANPC1DHODHMEN1
SCHEMBL12350327 0.83 TRPV1 (0.66) TRPV1RAB9ALMNANPC1KDM4E
SCHEMBL12350334 0.82 TRPV1 (0.64) TRPV1MAPTCHEK2GUSB

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-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
US-20110190364-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 TRPV1 29/4885RAB9A 3985/4885LMNA 4066/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 TRPV1 29/4885RAB9A 3985/4885LMNA 4066/4885

“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.

Send feedback