SCHEMBL996814

SCHEMBL996814

Cc1cccc(NC(=O)N2CCCc3c([nH]c4ccccc34)C2)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.69
ALDH1A1 P00352 1/20 0.57
CDK4 P11802 1/20 0.56
CCND1 P24385 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL998142 0.94 TRPV1 (0.78) TRPV1CDK4CCND1
SCHEMBL1000695 0.92 TRPV1 (0.61) TRPV1ALDH1A1RAB9A
SCHEMBL1000937 0.88 TRPV1 (0.72) TRPV1
SCHEMBL998273 0.88 TRPV1 (0.69) TRPV1ALDH1A1
SCHEMBL999373 0.88 TRPV1 (0.88) TRPV1CDK4CCND1
SCHEMBL998299 0.87 TRPV1 (0.71) TRPV1CDK4CCND1RAB9A
SCHEMBL996819 0.87 TRPV1 (0.59) TRPV1ALDH1A1RAB9A
SCHEMBL999057 0.85 TRPV1 (0.89) TRPV1
SCHEMBL999013 0.85 TRPV1 (0.65) TRPV1ALDH1A1
SCHEMBL1001165 0.85 TRPV1 (0.74) 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 2437/4885ALDH1A1 1422/4885CDK4 987/4885

“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.