SCHEMBL17099372

SCHEMBL17099372

O=C(O)C1CCN(Cc2cccc(Oc3ccccn3)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 4/20 0.53
KDM4E B2RXH2 3/20 0.52
MGLL Q99685 1/20 0.51
S1PR5 Q9H228 1/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP2D6 P10635 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL17099373 0.88 CCR8 (0.53) CCR8KDM4ES1PR5MEN1LMNA
SCHEMBL15634802 0.87 CCR8 (0.68) CCR8KDM4ES1PR5MEN1LMNA
SCHEMBL15635404 0.87 CCR8 (0.68) CCR8KDM4ES1PR5MEN1LMNA
SCHEMBL17104843 0.86 CCR8 (0.67) CCR8KDM4ES1PR5MEN1LMNA
SCHEMBL17055950 0.85 KDM4E (0.68) CCR8KDM4EMGLLMEN1LMNA
SCHEMBL17099433 0.82 KMT2A (0.58) CCR8KDM4EKMT2A
SCHEMBL17099430 0.81 CCR8 (0.53) CCR8KDM4ES1PR5MEN1KMT2A
SCHEMBL16695594 0.81 NOTUM (0.60) KDM4EMGLL
SCHEMBL17099393 0.81 CCR8 (0.57) CCR8KDM4ES1PR5MEN1KMT2A
SCHEMBL17099350 0.81 KDM4E (0.62) CCR8KDM4EMEN1KMT2A

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 CCR8 3573/4885KDM4E 2066/4885MGLL 3920/4885

“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.