SCHEMBL2202987

SCHEMBL2202987

CN(C)C1(c2cccc(F)c2)CCC(CCO)(CCO)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.51
OPRL1 P41146 17/20 0.51
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
OGFRL1 Q5TC84 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL2203419 0.82 OPRL1 (0.66) OPRM1OPRL1OPRK1
SCHEMBL2204342 0.81 OPRM1 (0.56) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL2203926 0.79 OPRM1 (0.52) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL4344782 0.77 SLC6A4 (0.62) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL3411008 0.75 OPRM1 (0.54) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL27826344 0.74 OPRL1 (0.50) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL5160213 0.74 OPRM1 (0.50) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL526471 0.74 OPRM1 (0.52) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL4344633 0.73 OPRL1 (0.49) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL22112097 0.73 OPRM1 (0.49) OPRM1OPRL1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
EP-2344457-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2011-07-20 EP disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 WO 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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN OPRM1 82/4885OPRL1 12/4885SLC6A2 923/4885

“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.