SCHEMBL6045452

SCHEMBL6045452

CCC(=O)N(c1ccccc1)C1(C(=O)O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.62
OPRD1 P41143 4/20 0.62
OPRK1 P41145 2/20 0.62
SIGMAR1 Q99720 6/20 0.57
CACNA1C Q13936 1/20 0.56

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
SCHEMBL11569120 0.88 OPRM1 (0.80) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL6045500 0.88 OPRM1 (0.69) OPRM1OPRD1OPRK1SIGMAR1CACNA1C
SCHEMBL3303683 0.88 OPRM1 (0.80) OPRM1OPRD1OPRK1CACNA1C
Oxalic Acid SCHEMBL8772964 0.86 OPRM1 (0.77) OPRM1OPRD1OPRK1CACNA1C
Oxalic Acid SCHEMBL6045761 0.86 OPRM1 (0.67) OPRM1OPRD1OPRK1SIGMAR1CACNA1C
SCHEMBL13317183 0.86 OPRM1 (0.58) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL11564210 0.85 OPRM1 (0.69) OPRM1OPRD1OPRK1SIGMAR1CACNA1C
Oxalic Acid SCHEMBL6045633 0.85 OPRM1 (0.55) OPRM1OPRD1OPRK1SIGMAR1CACNA1C
Oxalic Acid SCHEMBL6045472 0.84 OPRM1 (0.59) OPRM1OPRD1OPRK1SIGMAR1CACNA1C
SCHEMBL13526102 0.84 OPRM1 (0.61) OPRM1OPRD1OPRK1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102617449-B 4-substituted-4- (N-propionyl) aniline piperidine compounds, preparation method and application WEST CHINA HOSPITAL OF SICHUAN UNIVERSITY (CN) 2014-10-15 CN disclosed
CN-102617449-A 4-substituted-4- (N-propionyl) aniline piperidine compounds, preparation method and application WEST CHINA HOSPITAL SICHUAN UNIV 2012-08-01 CN disclosed
US-20060252797-A1 Receptor regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-09 US disclosed
EP-1559428-A1 RECEPTOR REGULATOR Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP 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-20060252797-A1 Receptor regulator NMUR1, NMUR2, NMBR OPRM1 148/4885OPRD1 180/4885OPRK1 146/4885

“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.