SCHEMBL4344641

SCHEMBL4344641

O=C1NC[C@H]2CCCC[C@@H]2N1C1CCN(C2CCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.56
OPRL1 P41146 13/20 0.56
OPRK1 P41145 8/20 0.50
OPRD1 P41143 5/20 0.38
OGFRL1 Q5TC84 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PARP1 P09874 1/20 0.34

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
SCHEMBL4344823 0.98 OPRM1 (0.59) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL3410347 0.91 OPRM1 (0.48) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL4348019 0.86 OPRL1 (0.53) OPRM1OPRL1OPRK1OPRD1
SCHEMBL3406561 0.85 OPRM1 (0.43) OPRM1OPRL1OPRK1
SCHEMBL4270305 0.85 OPRM1 (0.43) OPRM1OPRL1OPRK1
SCHEMBL4270301 0.85 OPRM1 (0.43) OPRM1OPRL1OPRK1
SCHEMBL4351341 0.83 OPRM1 (0.49) OPRM1OPRL1OPRK1OPRD1CHRM2
SCHEMBL4350703 0.81 OPRM1 (0.48) OPRM1OPRL1OPRK1OPRD1
SCHEMBL3404628 0.81 OPRM1 (0.45) OPRM1OPRL1OPRK1CHRM2CHRM4
SCHEMBL4347994 0.81 OPRM1 (0.46) OPRM1OPRL1OPRK1OPRD1CHRM2

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-20090275574-A1 NOVEL COMPOUNDS-300 ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275574-A1 NOVEL COMPOUNDS-300 ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275574-A1 NOVEL COMPOUNDS-300 ASTRAZENECA AB (SE) 2009-11-05 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-20090275574-A1 NOVEL COMPOUNDS-300 CACNA1A, SCN10A, OPRM1 OPRM1 3/4885OPRL1 4/4885OPRK1 5/4885

“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.