SCHEMBL4765099

SCHEMBL4765099

CNC1(c2ccsc2)CCC2(CC1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 2/20 0.36
OPRM1 P35372 3/20 0.34
OPRL1 P41146 2/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.32
KIF11 P52732 1/20 0.32
KCNA3 P22001 1/20 0.31
SLC6A2 P23975 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL14294296 0.79 OPRM1 (0.37) SLC6A4OPRM1OPRL1OPRK1KIF11
SCHEMBL4830592 0.78 KCNA3 (0.36) SLC6A4SLC6A3OPRM1OPRL1OPRK1
SCHEMBL734156 0.77 OPRM1 (0.57) SLC6A4SLC6A3OPRM1OPRL1OPRK1
SCHEMBL517588 0.76 OPRM1 (0.39) SLC6A4SLC6A3OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL9897862 0.76 OPRM1 (0.56) SLC6A4SLC6A3OPRM1OPRL1OPRK1
SCHEMBL4767361 0.74 KCNA3 (0.42) SLC6A4SLC6A3OPRM1OPRL1OPRK1
SCHEMBL4762122 0.73 OPRM1 (0.30) OPRM1
SCHEMBL3927005 0.72 OPRM1 (0.49) SLC6A4SLC6A3OPRM1OPRL1ALDH1A1
SCHEMBL26627224 0.72 MAOA (0.41) SLC6A4SLC6A3KCNA3SLC6A2
SCHEMBL4768434 0.71 AKR1C1 (0.38) KCNA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725567-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH AFFINITY TO THE ORL-1 RECEPTOR GRUENENTHAL GMBH (DE) 2008-03-26 EP disclosed
US-7332519-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2008-02-19 US disclosed
EP-1725567-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH AFFINITY TO THE ORL-1 RECEPTOR Grünenthal GmbH (DE) 2006-11-29 EP disclosed
US-20050192333-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2005-09-01 US disclosed
WO-2005066183-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH AFFINITY FOR THE ORL1-RECEPTOR Grünenthal GmbH (DE) 2005-07-21 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-20050192333-A1 Spirocyclic cyclohexane compounds OPRL1, OPRK1, OPRD1 SLC6A4 1987/4885SLC6A3 1585/4885OPRM1 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.