SCHEMBL998273

SCHEMBL998273

O=C(Nc1cccc(Cl)c1)N1CCCc2c([nH]c3ccccc23)C1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.69
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
MAPT P10636 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
MCL1 Q07820 1/20 0.60
ALDH1A1 P00352 1/20 0.57
RECQL P46063 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL1001418 0.94 TRPV1 (0.78) TRPV1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL997136 0.92 TRPV1 (0.72) TRPV1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL998030 0.89 TRPV1 (0.88) TRPV1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1000937 0.88 TRPV1 (0.72) TRPV1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL997682 0.88 TRPV1 (0.88) TRPV1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL996814 0.88 TRPV1 (0.69) TRPV1ALDH1A1
SCHEMBL999373 0.88 TRPV1 (0.88) TRPV1
SCHEMBL1000456 0.87 TRPV1 (0.68) TRPV1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL999057 0.85 TRPV1 (0.89) TRPV1
SCHEMBL998299 0.85 TRPV1 (0.71) 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 2437/4885MEN1 1017/4885KMT2A 2539/4885

“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.