SCHEMBL3407872

SCHEMBL3407872

CN(C)C1(c2cccc(F)c2)CCC2(CCCc3c2[nH]c2ccccc32)CC1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 20/20 0.78
OPRL1 P41146 12/20 0.78
OGFRL1 Q5TC84 11/20 0.68
OPRD1 P41143 3/20 0.51
OPRK1 P41145 3/20 0.51

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
SCHEMBL4114262 0.88 OPRM1 (1.00) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL4108989 0.86 OPRM1 (0.76) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL10038858 0.82 OPRM1 (0.78) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL517410 0.82 OPRM1 (0.78) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL10038873 0.82 OPRM1 (0.78) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL4114993 0.82 OPRM1 (0.59) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL1304539 0.81 OPRM1 (0.78) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL681592 0.81 OPRM1 (1.00) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL3411849 0.81 OPRM1 (0.53) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL4121703 0.80 OPRM1 (0.57) OPRM1OPRL1OGFRL1OPRD1OPRK1

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 14 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
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
EP-2257526-B1 SPIRO(5.5)UNDECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-12-14 EP disclosed
EP-2257526-B1 SPIRO(5.5)UNDECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-12-14 EP disclosed
WO-2009118169-A1 SPIRO(5.5)UNDECANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 WO 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.