SCHEMBL17099433

SCHEMBL17099433

O=C(O)C1CCN(Cc2cccc(Oc3cccnc3)c2)C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
TRPV6 Q9H1D0 1/20 0.58
FAAH O00519 3/20 0.54
CCR8 P51685 3/20 0.54
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL15634802 0.88 CCR8 (0.68) KMT2AFAAHCCR8KDM4E
SCHEMBL15635404 0.88 CCR8 (0.68) KMT2AFAAHCCR8KDM4E
SCHEMBL17104843 0.87 CCR8 (0.67) KMT2AFAAHCCR8KDM4E
SCHEMBL17099373 0.85 CCR8 (0.53) KMT2ACCR8KDM4E
SCHEMBL21061654 0.84 ALDH1A1 (0.65) KMT2AKDM4E
SCHEMBL17099387 0.84 CCR8 (0.63) KMT2ACCR8KDM4E
SCHEMBL17099350 0.84 KDM4E (0.62) KMT2AFAAHCCR8KDM4E
SCHEMBL17099393 0.84 CCR8 (0.57) KMT2ACCR8KDM4E
SCHEMBL17124803 0.83 CCR8 (0.62) KMT2ATRPV6FAAHCCR8KDM4E
SCHEMBL17099412 0.83 CCR8 (0.62) KMT2AFAAHCCR8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US 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-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A KMT2A 2908/4885TRPV6 9/4885FAAH 407/4885

“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.