SCHEMBL17099381

SCHEMBL17099381

CC(C)c1ccc(Oc2cccc(CN3CCC(C(=O)O)C3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 4/20 0.59
KDM4E B2RXH2 2/20 0.56
S1PR1 P21453 1/20 0.54
DRD2 P14416 2/20 0.49
S1PR5 Q9H228 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 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
SCHEMBL15634802 0.89 CCR8 (0.68) CCR8KDM4ES1PR5MEN1KMT2A
SCHEMBL15635404 0.89 CCR8 (0.68) CCR8KDM4ES1PR5MEN1KMT2A
SCHEMBL17099412 0.88 CCR8 (0.62) CCR8KDM4EDRD2S1PR5MEN1
SCHEMBL17048485 0.88 CCR8 (0.65) CCR8KDM4EDRD2S1PR5MEN1
SCHEMBL17104843 0.88 CCR8 (0.67) CCR8KDM4ES1PR5MEN1KMT2A
SCHEMBL17099425 0.86 CCR8 (0.59) CCR8KDM4ES1PR5ALDH1A1
SCHEMBL17099426 0.85 CCR8 (0.61) CCR8KDM4ES1PR1S1PR5MEN1
SCHEMBL17099350 0.85 KDM4E (0.62) CCR8KDM4EMEN1KMT2AALDH1A1
SCHEMBL17099387 0.85 CCR8 (0.63) CCR8KDM4ES1PR1S1PR5MEN1
SCHEMBL17099422 0.84 CCR8 (0.62) CCR8KDM4ES1PR1S1PR5MEN1

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 2066/4885S1PR1 3362/4885

“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.