SCHEMBL13952029

SCHEMBL13952029

Cc1noc(C)c1NC(=O)CC1CCN(C(C)CN(c2ccccc2)S(=O)(=O)CC2CCC(F)(F)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.37
▸ CCR5 P51681 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13930680 1.00 OPRM1 (0.37) OPRM1CCR5LMNATSHRPOLB
SCHEMBL13930681 0.90 OPRM1 (0.37) OPRM1CCR5
SCHEMBL13930682 0.85 OPRM1 (0.37) OPRM1CCR5
SCHEMBL13930686 0.85 OPRM1 (0.38) OPRM1
SCHEMBL13929287 0.84 MEN1 (0.41) OPRM1TSHRNPY2RSMN1; SMN2
SCHEMBL13930683 0.84 KCNJ6 (0.41) OPRM1CCR5TSHRSMN1; SMN2
SCHEMBL13930675 0.84 OPRM1 (0.37) OPRM1CCR5
SCHEMBL13930676 0.83 OPRM1 (0.40) OPRM1POLB
SCHEMBL13930691 0.82 OPRM1 (0.41) OPRM1
SCHEMBL13930679 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 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 202/4885CCR5 286/4885LMNA 3911/4885

“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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