SCHEMBL997954

SCHEMBL997954

O=C(Nc1ccccc1)N1CCc2c([nH]c3ccccc23)C1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.83
NAMPT P43490 1/20 0.71
MEN1 O00255 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
MAPT P10636 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
KMT2A Q03164 1/20 0.68
MCL1 Q07820 1/20 0.68

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
SCHEMBL1000937 0.93 TRPV1 (0.72) TRPV1NAMPTMEN1CYP1A2CYP3A4
SCHEMBL28587506 0.91 TRPV1 (1.00) TRPV1NAMPTMEN1CYP1A2CYP3A4
SCHEMBL999838 0.91 TRPV1 (1.00) TRPV1NAMPTMEN1CYP1A2CYP3A4
SCHEMBL997665 0.90 TRPV1 (0.81) TRPV1NAMPTMEN1CYP1A2CYP3A4
SCHEMBL28598990 0.88 TRPV1 (1.00) TRPV1NAMPTMEN1CYP1A2CYP3A4
SCHEMBL998142 0.88 TRPV1 (0.78) TRPV1
SCHEMBL1001239 0.88 TRPV1 (1.00) TRPV1
SCHEMBL1001418 0.88 TRPV1 (0.78) TRPV1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL28590984 0.88 TRPV1 (1.00) TRPV1NAMPTMEN1CYP1A2CYP3A4
SCHEMBL997010 0.88 TRPV1 (1.00) TRPV1NAMPTMEN1CYP1A2CYP3A4

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 2437/4885NAMPT 1807/4885MEN1 1017/4885

“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.