SCHEMBL996819

SCHEMBL996819

COc1ccc2[nH]c3c(c2c1)CCCN(C(=O)Nc1cccc(C)c1)C3

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.59
KDR P35968 2/20 0.56
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 2/20 0.50
BAZ2B Q9UIF8 1/20 0.50
NPC1 O15118 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 0.94 TRPV1 (0.67) TRPV1RAB9ABAZ2BNPC1
SCHEMBL1079313 0.91 TRPV1 (0.69) TRPV1KDRBAZ2B
SCHEMBL996814 0.87 TRPV1 (0.69) TRPV1ALDH1A1RAB9A
SCHEMBL998299 0.86 TRPV1 (0.71) TRPV1HTTRAB9ANPC1
SCHEMBL997329 0.86 TRPV1 (0.67) TRPV1KDRBAZ2B
SCHEMBL1080209 0.85 TRPV1 (0.59) TRPV1KDRBAZ2B
SCHEMBL996796 0.84 TRPV1 (0.65) TRPV1BAZ2B
SCHEMBL998293 0.82 TRPV1 (0.57) TRPV1KDRALDH1A1BAZ2B
SCHEMBL998380 0.82 TRPV1 (0.65) TRPV1KDRALDH1A1BAZ2B
SCHEMBL999203 0.81 TRPV1 (0.88) TRPV1RAB9ANPC1

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 2437/4885KDR 4789/4885ALDH1A1 1422/4885

“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.