SCHEMBL2692974

SCHEMBL2692974

CC(NC(=O)Cn1cnc2cccc(C#N)c21)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.68
▸ MAPK1 P28482 1/20 0.48
▸ GPR139 Q6DWJ6 6/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ AR P10275 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ENPP2 Q13822 1/20 0.38

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
SCHEMBL14291771 0.92 TRPV1 (0.58) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL306501 0.92 TRPV1 (0.58) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL29454367 0.92 TRPV1 (0.58) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL308305 0.92 TRPV1 (0.58) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL306502 0.92 TRPV1 (0.58) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL4492187 0.92 TRPV1 (0.83) TRPV1MAPK1GPR139CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL29454378 0.91 TRPV1 (0.57) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL2695127 0.91 TRPV1 (0.59) TRPV1MAPK1GPR139ARENPP2
SCHEMBL2694475 0.91 TRPV1 (0.59) TRPV1MAPK1GPR139ARENPP2
SCHEMBL2692682 0.90 TRPV1 (0.53) TRPV1MAPK1GPR139CYP3A4CYP2D6

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 — — US claimed
EP-1966156-B1 NEW COMPOUNDS III ASTRAZENECA AB (SE) 2011-12-21 — — EP claimed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 — — US claimed
EP-1966156-A2 NEW COMPOUNDS III AstraZeneca AB (SE) 2008-09-10 — — EP claimed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 — — US claimed
WO-2007073303-A2 NOVEL BENZIMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR 1 (VRL) INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 — — WO claimed
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 — — US disclosed
EP-1966156-B1 NEW COMPOUNDS III ASTRAZENECA AB (SE) 2011-12-21 — — EP disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 — — US disclosed
US-7618993-B2 Compounds ASTRAZENECA AB (SE) 2009-11-17 — — US disclosed
EP-1966156-A2 NEW COMPOUNDS III AstraZeneca AB (SE) 2008-09-10 — — EP disclosed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 — — US disclosed
WO-2007073303-A2 NOVEL BENZIMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR 1 (VRL) INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 — — WO 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-20100286202-A1 New Compounds REN, PCSK9, FURIN TRPV1 117/4885MAPK1 3756/4885GPR139 1736/4885
US-20080171770-A1 Compounds REN, PCSK9, SLC10A1 TRPV1 91/4885MAPK1 3790/4885GPR139 2831/4885

“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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