SCHEMBL13952138

SCHEMBL13952138

CC1=NN(c2ccc(NC(=O)CC3CCN([C@H](C)CN(c4ccccc4)S(=O)(=O)Cc4ccccc4)CC3)cc2)C(C)C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.41
▸ RORC P51449 2/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37

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
SCHEMBL13930670 0.83 OPRM1 (0.47) OPRM1RORCGRIN1GRIN2B
SCHEMBL13930720 0.83 MAPT (0.41) OPRM1GRIN1GRIN2B
SCHEMBL13930692 0.82 UBE2M (0.49) OPRM1
SCHEMBL13952184 0.81 OPRM1 (0.45) OPRM1GRIN1GRIN2B
SCHEMBL13930729 0.81 RORC (0.56) OPRM1RORCGRIN1GRIN2B
SCHEMBL13930718 0.80 TPSAB1 (0.51) OPRM1GRIN1GRIN2B
SCHEMBL13930721 0.80 UBE2M (0.39) OPRM1GRIN1GRIN2B
SCHEMBL13930722 0.80 OPRM1 (0.41) OPRM1RORCGRIN1GRIN2B
SCHEMBL13930723 0.79 UBE2M (0.43) OPRM1
SCHEMBL13930724 0.78 OPRM1 (0.41) OPRM1RORCGRIN1GRIN2B

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-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 — — 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-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use ALDH1A1, ABAT, ALDH18A1 OPRM1 202/4885RORC 876/4885GRIN1 545/4885

“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.

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