SCHEMBL3409447

SCHEMBL3409447

CN(C)C1(c2cccc(F)c2)CCC2(CC1)CC(NC(=O)c1cc3ccccc3s1)Cc1c2[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.47
OPRL1 P41146 5/20 0.47
OGFRL1 Q5TC84 9/20 0.46
RB1 P06400 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CHRNA7 P36544 2/20 0.37
HTR3A P46098 2/20 0.37

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
SCHEMBL4110187 0.86 OPRM1 (0.55) OPRM1OPRL1OGFRL1RB1
SCHEMBL4115811 0.82 OPRM1 (0.51) OPRM1OPRL1OGFRL1
SCHEMBL4114253 0.81 OPRM1 (0.53) OPRM1OPRL1OGFRL1
SCHEMBL4105970 0.81 OPRM1 (0.49) OPRM1OPRL1OGFRL1
SCHEMBL4114251 0.81 OPRM1 (0.53) OPRM1OPRL1OGFRL1
SCHEMBL4114247 0.81 OPRM1 (0.53) OPRM1OPRL1OGFRL1
SCHEMBL4111302 0.80 OPRM1 (0.48) OPRM1OPRL1OGFRL1RB1
SCHEMBL4114993 0.76 OPRM1 (0.59) OPRM1OPRL1OGFRL1
SCHEMBL10038867 0.75 OPRM1 (0.59) OPRM1OPRL1OGFRL1
SCHEMBL517927 0.75 OPRM1 (0.59) OPRM1OPRL1OGFRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257526-B1 SPIRO(5.5)UNDECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-12-14 EP claimed
EP-2257526-A1 SPIRO(5.5)UNDECANE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP claimed
WO-2009118169-A1 SPIRO(5.5)UNDECANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 WO 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 3/4885OPRL1 1/4885OGFRL1 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.