SCHEMBL4189075

SCHEMBL4189075

O=C(Cc1cccc(C2CCCC2)c1O)OC1C2CCC1N(CC1CCCCC1)C2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.34
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
NAAA Q02083 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL4180019 0.86 POLB (0.33) SIGMAR1PTGDR2
SCHEMBL4985782 0.85 OPRM1 (0.33) OPRM1OPRK1NAAAPTGDR2
SCHEMBL4977956 0.84 OPRM1 (0.34) OPRM1OPRK1NAAAPTGDR2
SCHEMBL4191198 0.81 KDM4E (0.39) OPRM1OPRK1
SCHEMBL4184504 0.81 OPRM1 (0.33) OPRM1OPRK1NAAAPTGDR2
SCHEMBL4176861 0.81 ALDH1A1 (0.38) SIGMAR1
SCHEMBL4184613 0.79 CHRM2 (0.35) OPRM1OPRK1NAAAPTGDR2
SCHEMBL4193805 0.78 GRIN2B (0.38) SIGMAR1PTGDR2
SCHEMBL4190993 0.77 GRIN2B (0.39) SIGMAR1
SCHEMBL4186784 0.76 NAAA (0.39) OPRM1OPRK1NAAAPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-28 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-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM5 SIGMAR1 420/4885OPRM1 71/4885OPRK1 91/4885

“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.