SCHEMBL4110187

SCHEMBL4110187

CC(=O)NC1Cc2c([nH]c3ccccc23)C2(CCC(c3cccc(F)c3)(N(C)C)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.55
OGFRL1 Q5TC84 12/20 0.55
OPRL1 P41146 7/20 0.54
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
RB1 P06400 1/20 0.40

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
SCHEMBL4115811 0.89 OPRM1 (0.51) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL4114251 0.87 OPRM1 (0.53) OPRM1OGFRL1OPRL1
SCHEMBL4105970 0.87 OPRM1 (0.49) OPRM1OGFRL1OPRL1
SCHEMBL4114253 0.87 OPRM1 (0.53) OPRM1OGFRL1OPRL1
SCHEMBL4114247 0.87 OPRM1 (0.53) OPRM1OGFRL1OPRL1
SCHEMBL4111302 0.87 OPRM1 (0.48) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL3409447 0.86 OPRM1 (0.47) OPRM1OGFRL1OPRL1RB1
SCHEMBL4114993 0.83 OPRM1 (0.59) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL4121703 0.81 OPRM1 (0.57) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL3407872 0.77 OPRM1 (0.78) OPRM1OGFRL1OPRL1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288430-B2 Spiro(5.5)undecane derivatives GRUNENTHAL GMBH (DE) 2012-10-16 US claimed
EP-2257526-B1 SPIRO(5.5)UNDECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-12-14 EP claimed
US-20090247505-A1 SPIRO(5.5)UNDECANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 US claimed
US-8288430-B2 Spiro(5.5)undecane derivatives GRUNENTHAL GMBH (DE) 2012-10-16 US disclosed
US-8288430-B2 Spiro(5.5)undecane derivatives GRUNENTHAL GMBH (DE) 2012-10-16 US disclosed
US-8288430-B2 Spiro(5.5)undecane derivatives GRUNENTHAL GMBH (DE) 2012-10-16 US disclosed
US-20090247505-A1 SPIRO(5.5)UNDECANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 US disclosed
US-20090247505-A1 SPIRO(5.5)UNDECANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 US disclosed
US-20090247505-A1 SPIRO(5.5)UNDECANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 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-20090247505-A1 SPIRO(5.5)UNDECANE DERIVATIVES OPRL1, OPRD1, OPRM1 OPRM1 3/4885OGFRL1 5/4885OPRL1 1/4885

“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.