SCHEMBL4830592

SCHEMBL4830592

CNC1(c2ccsc2)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.36
OPRM1 P35372 3/20 0.35
OPRL1 P41146 3/20 0.35
OPRK1 P41145 1/20 0.35
SLC6A9 P48067 3/20 0.34
SLC6A4 P31645 5/20 0.33
SLC6A2 P23975 2/20 0.33
KIF11 P52732 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A3 Q01959 2/20 0.31

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 0.82 OPRM1 (0.37) KCNA3OPRM1OPRL1OPRK1SLC6A4
SCHEMBL4767361 0.81 KCNA3 (0.42) KCNA3OPRM1OPRL1OPRK1SLC6A4
SCHEMBL4765099 0.78 SLC6A4 (0.36) KCNA3OPRM1OPRL1OPRK1SLC6A4
SCHEMBL20217389 0.75 KCNA3 (0.35) KCNA3SLC6A9SLC6A4SLC6A2KIF11
SCHEMBL30295320 0.74 ESR1 (0.45) KCNA3SLC6A9CHRM1
SCHEMBL9557318 0.72 KCNA3 (0.36) KCNA3SLC6A9SLC6A4SLC6A2KIF11
SCHEMBL294762 0.72 OPRM1 (0.61) OPRM1OPRL1OPRK1SLC6A4
SCHEMBL24462848 0.71 GRIN1 (0.49) KCNA3OPRM1OPRK1SLC6A9SLC6A4
SCHEMBL18769615 0.71 KCNA3 (0.30) KCNA3
SCHEMBL23595678 0.71 GRIN1 (0.49) KCNA3OPRM1OPRK1SLC6A9SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332519-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2008-02-19 US disclosed
US-20050192333-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2005-09-01 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-20050192333-A1 Spirocyclic cyclohexane compounds OPRL1, OPRK1, OPRD1 KCNA3 1777/4885OPRM1 5/4885OPRL1 1/4885

“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.