SCHEMBL996796

SCHEMBL996796

COC(=O)c1cccc(NC(=O)N2CCc3c([nH]c4ccc(OC)cc34)C2)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.65
CDK4 P11802 2/20 0.54
CCND1 P24385 2/20 0.54
BAZ2B Q9UIF8 1/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL997731 0.89 TRPV1 (0.67) TRPV1BAZ2B
SCHEMBL998951 0.89 TRPV1 (0.72) TRPV1
SCHEMBL999252 0.84 TRPV1 (0.80) TRPV1CDK4CCND1
SCHEMBL997329 0.84 TRPV1 (0.67) TRPV1BAZ2B
SCHEMBL996819 0.84 TRPV1 (0.59) TRPV1BAZ2B
SCHEMBL1079313 0.83 TRPV1 (0.69) TRPV1BAZ2B
SCHEMBL997366 0.83 TRPV1 (0.66) TRPV1BAZ2BHDAC1HDAC6
SCHEMBL3087738 0.81 BAZ2B (0.70) TRPV1BAZ2B
SCHEMBL998854 0.80 TRPV1 (0.68) TRPV1
SCHEMBL997010 0.79 TRPV1 (1.00) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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 (1 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS TRPV1 2437/4885CDK4 987/4885CCND1 316/4885

“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.