SCHEMBL6045574

SCHEMBL6045574

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.54
SIGMAR1 Q99720 9/20 0.54
OPRD1 P41143 3/20 0.51
OPRK1 P41145 3/20 0.51
KCNH2 Q12809 2/20 0.49
ACHE P22303 1/20 0.49
OPRL1 P41146 1/20 0.48

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
SCHEMBL13534002 0.87 OPRM1 (0.52) OPRM1OPRD1OPRK1OPRL1
SCHEMBL21874409 0.85 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1
SCHEMBL13317183 0.83 OPRM1 (0.58) OPRM1SIGMAR1OPRD1OPRK1KCNH2
SCHEMBL6045452 0.82 OPRM1 (0.62) OPRM1SIGMAR1OPRD1OPRK1
SCHEMBL13451313 0.81 CACNA1C (0.71) OPRM1OPRD1OPRK1OPRL1
SCHEMBL13526102 0.81 OPRM1 (0.61) OPRM1SIGMAR1OPRD1OPRK1KCNH2
SCHEMBL14355475 0.81 CACNA1C (0.58) OPRM1OPRD1OPRK1OPRL1
Oxalic Acid SCHEMBL6045520 0.79 OPRM1 (0.54) OPRM1SIGMAR1OPRD1OPRK1KCNH2
SCHEMBL593749 0.79 SIGMAR1 (0.50) OPRM1SIGMAR1OPRD1KCNH2ACHE
SCHEMBL2331319 0.78 OPRM1 (0.61) OPRM1SIGMAR1ACHEOPRL1

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-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 148/4885SIGMAR1 179/4885OPRD1 180/4885

“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.