SCHEMBL2690995

SCHEMBL2690995

CC(=O)c1cccc2ncn(CC(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)c12

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.69
MAPK1 P28482 1/20 0.48
GPR139 Q6DWJ6 7/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ENPP2 Q13822 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGER4 P35408 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
SCHEMBL14292350 0.92 TRPV1 (0.59) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL307541 0.90 TRPV1 (0.57) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL306898 0.90 TRPV1 (0.57) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL2692974 0.85 TRPV1 (0.68) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL4976192 0.82 LMNA (0.50) TRPV1ENPP2ALDH1A1NR1H4MEN1
SCHEMBL2692712 0.82 TRPV1 (0.49) TRPV1MAPK1GPR139CYP3A4CYP2D6
SCHEMBL30005521 0.82 TRPV1 (1.00) TRPV1MAPK1GPR139ENPP2ALDH1A1
SCHEMBL2692902 0.82 TRPV1 (1.00) TRPV1MAPK1GPR139ENPP2ALDH1A1
SCHEMBL2693400 0.82 TRPV1 (1.00) TRPV1MAPK1GPR139ENPP2ALDH1A1
SCHEMBL14292036 0.81 TRPV1 (0.54) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US 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
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 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-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.