SCHEMBL14640343

SCHEMBL14640343

CCCCC(C)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.49
OPRD1 P41143 13/20 0.49
OPRK1 P41145 13/20 0.49
OPRL1 P41146 13/20 0.49
PNMT P11086 1/20 0.41
AOC3 Q16853 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL20091088 0.95 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1PNMT
SCHEMBL19523042 0.93 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1
SCHEMBL18923583 0.89 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1PNMT
SCHEMBL28099989 0.87 HDAC4 (0.42) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL7906262 0.82 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL16954110 0.82 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1AOC3
SCHEMBL15500995 0.81 PNMT (0.47) PNMTAOC3KMT2AALDH1A1HPGD
SCHEMBL22169024 0.81 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL199109 0.81 HDAC4 (0.53) OPRM1OPRD1OPRK1OPRL1PNMT
SCHEMBL26239181 0.81 HDAC4 (0.53) OPRM1OPRD1OPRK1OPRL1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968179-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2021-04-06 US disclosed
US-20200290953-A1 Charged Ion Channel Blockers and Methods for Use Nocion Therapeutics, Inc. 2020-09-17 US disclosed
WO-2007006547-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS DEVGEN N.V. (BE) 2007-01-18 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-20200290953-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 OPRM1 269/4885OPRD1 266/4885OPRK1 164/4885
US-10968179-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 OPRM1 269/4885OPRD1 266/4885OPRK1 164/4885

“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.