SCHEMBL12350324

SCHEMBL12350324

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ FFAR1 O14842 1/20 0.38
▸ ACACB O00763 5/20 0.38
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36

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
SCHEMBL1796327 0.90 TRPV1 (0.47) TRPV1MEN1HTTKMT2AFFAR1
SCHEMBL12350338 0.89 TRPV1 (0.47) TRPV1MEN1HTTKMT2AFFAR1
SCHEMBL1796058 0.88 TRPV1 (0.44) TRPV1MEN1HTTKMT2AFFAR1
SCHEMBL1799653 0.87 TRPV1 (0.46) TRPV1KDM4ENPC1RAB9ATRPA1
SCHEMBL12350312 0.87 TRPV1 (0.46) TRPV1FFAR1TRPA1
SCHEMBL1799719 0.86 TRPV1 (0.45) TRPV1FFAR1TRPA1
SCHEMBL12350320 0.83 TRPV1 (0.43) TRPV1MEN1KMT2AACACBLMNA
SCHEMBL1799680 0.83 TRPV1 (0.46) TRPV1MEN1KMT2ANPC1RAB9A
SCHEMBL12350327 0.83 TRPV1 (0.66) TRPV1MEN1HTTKMT2ALMNA
SCHEMBL12350369 0.82 TRPV1 (0.45) TRPV1TRPA1

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 TRPV1 29/4885MEN1 3925/4885HTT 4740/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 TRPV1 29/4885MEN1 3925/4885HTT 4740/4885

“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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