SCHEMBL17048541

SCHEMBL17048541

FC(F)(F)c1cc(OCc2ccccc2)cc(C2(Cl)CN(C(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
OPRL1 P41146 3/20 0.40
FFAR1 O14842 1/20 0.39
CYP2D6 P10635 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PDGFRA P16234 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
TACR1 P25103 2/20 0.37
MAOB P27338 1/20 0.37
NR4A2 P43354 1/20 0.37
SOS1 Q07889 1/20 0.37

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
SCHEMBL17048674 0.89 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1FFAR1
SCHEMBL17056170 0.85 TACR1 (0.39) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL18882704 0.83 GRM5 (0.44) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL6777765 0.78 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL6889358 0.76 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL18882702 0.72 OPRL1 (0.46) OPRM1OPRD1OPRK1OPRL1
SCHEMBL15898855 0.71 MAOB (0.40) OPRM1MRGPRX4TACR1MAOBNR4A2
SCHEMBL9224526 0.70 ALOX5 (0.47) MRGPRX4PSEN1PSEN2APH1BNCSTN
SCHEMBL23526525 0.70 TACR1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30014666 0.70 TACR1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 WO 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 (2 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-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S OPRM1 637/4885OPRD1 362/4885OPRK1 441/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A OPRM1 639/4885OPRD1 325/4885OPRK1 428/4885

“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.