SCHEMBL13930675

SCHEMBL13930675

Cc1cc(NC(=O)CC2CCN([C@H](C)CN(c3ccccc3)S(=O)(=O)CC3CCC(F)(F)CC3)CC2)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.37
▸ CCR5 P51681 1/20 0.34
▸ KCNJ6 P48051 1/20 0.33
▸ KCNJ5 P48544 1/20 0.33
▸ KCNJ3 P48549 1/20 0.33

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
SCHEMBL13930674 0.91 OPRM1 (0.36) OPRM1CCR5
SCHEMBL13930679 0.88 OPRM1 (0.37) OPRM1CCR5
SCHEMBL13952143 0.87 OPRM1 (0.39) OPRM1
SCHEMBL13930684 0.87 OPRM1 (0.39) OPRM1
SCHEMBL13930683 0.86 KCNJ6 (0.41) OPRM1CCR5KCNJ6KCNJ5KCNJ3
SCHEMBL13930687 0.85 OPRM1 (0.38) OPRM1
SCHEMBL13952029 0.84 OPRM1 (0.37) OPRM1CCR5
SCHEMBL13930680 0.84 OPRM1 (0.37) OPRM1CCR5
SCHEMBL13930681 0.82 OPRM1 (0.37) OPRM1CCR5
SCHEMBL13930682 0.82 OPRM1 (0.37) OPRM1CCR5

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-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 — — US disclosed
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 202/4885CCR5 286/4885KCNJ6 2109/4885

“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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