SCHEMBL150889

SCHEMBL150889

CN(C)C[C@H]1C[C@@H](OCc2ccc(F)cc2)CC[C@]1(O)c1cccc(O)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.57
OPRD1 P41143 13/20 0.57
OPRM1 P35372 13/20 0.57
SLC6A4 P31645 6/20 0.56
SLC6A2 P23975 5/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL150888 1.00 OPRK1 (0.57) OPRK1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL4663621 0.93 OPRM1 (0.49) OPRK1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL4663878 0.91 OPRM1 (0.47) OPRK1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL8025136 0.91 OPRM1 (0.59) OPRK1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL4665507 0.90 SMN1; SMN2 (0.51) OPRK1OPRD1OPRM1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL8615875 0.90 OPRK1 (0.58) OPRK1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL4664190 0.90 OPRM1 (0.48) OPRK1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL4663398 0.90 OPRK1 (0.58) OPRK1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL29565390 0.90 OPRK1 (0.58) OPRK1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL29966565 0.90 OPRK1 (0.58) OPRK1OPRD1OPRM1SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176790-A1 Pharmaceutical salts GRUNENTHAL GMBH (DE) 2005-08-11 US claimed
US-10160719-B2 Pharmaceutical salts GRUNENTHAL GMBH (DE) 2018-12-25 US disclosed
US-20170137370-A1 PHARMACEUTICAL SALTS Grünenthal GmbH (DE) 2017-05-18 US disclosed
US-20120059066-A1 PHARMACEUTICAL SALTS GRUNENTHAL GMBH (DE) 2012-03-08 US disclosed
US-20090258948-A1 PHARMACEUTICAL SALTS GRUNENTHAL GMBH (DE) 2009-10-15 US disclosed
US-20050176790-A1 Pharmaceutical salts GRUNENTHAL GMBH (DE) 2005-08-11 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 (5 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-20050176790-A1 Pharmaceutical salts SLC5A1, SLC5A2, SLC35A1 OPRK1 1625/4885OPRD1 2232/4885OPRM1 2171/4885
US-20120059066-A1 PHARMACEUTICAL SALTS SLC5A1, SLC5A2, SLC35A1 OPRK1 1831/4885OPRD1 2343/4885OPRM1 2283/4885
US-10160719-B2 Pharmaceutical salts SLC5A1, SLC5A2, SLC35A1 OPRK1 1831/4885OPRD1 2343/4885OPRM1 2283/4885
US-20170137370-A1 PHARMACEUTICAL SALTS SLC5A1, SLC5A2, SLC35A1 OPRK1 1831/4885OPRD1 2343/4885OPRM1 2283/4885
US-20090258948-A1 PHARMACEUTICAL SALTS SLC5A1, SLC5A2, SLC35A1 OPRK1 1831/4885OPRD1 2343/4885OPRM1 2283/4885

“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.