SCHEMBL17099355

SCHEMBL17099355

O=C(O)C1CCN(Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.59
S1PR5 Q9H228 6/20 0.58
S1PR1 P21453 5/20 0.58
PDGFRA P16234 1/20 0.58
GRK5 P34947 1/20 0.57
CDK8 P49336 1/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
CCR8 P51685 2/20 0.54
NOTUM Q6P988 1/20 0.53
KDM4E B2RXH2 2/20 0.52
FFAR1 O14842 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
PRKX P51817 1/20 0.51
IKBKE Q14164 1/20 0.51

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) FAAHS1PR5KMT2AMEN1CCR8
SCHEMBL15635404 0.88 CCR8 (0.68) FAAHS1PR5KMT2AMEN1CCR8
SCHEMBL17104843 0.87 CCR8 (0.67) FAAHS1PR5KMT2AMEN1CCR8
SCHEMBL17099393 0.86 CCR8 (0.57) S1PR5KMT2AMEN1CCR8KDM4E
SCHEMBL17048455 0.85 MEN1 (0.55) S1PR5S1PR1PDGFRAGRK5CDK8
SCHEMBL17099425 0.85 CCR8 (0.59) FAAHS1PR5CCR8KDM4EALDH1A1
SCHEMBL17055983 0.85 CCR8 (0.61) FAAHKMT2AMEN1CCR8KDM4E
SCHEMBL17099436 0.84 NOTUM (0.64) S1PR5S1PR1CCR8NOTUM
SCHEMBL17099410 0.84 CCR8 (0.55) S1PR5KMT2AMEN1CCR8KDM4E
SCHEMBL17099350 0.84 KDM4E (0.62) FAAHKMT2AMEN1CCR8KDM4E

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 FAAH 407/4885S1PR5 2295/4885S1PR1 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.