SCHEMBL13930671

SCHEMBL13930671

C[C@H](CN(c1ccccc1)S(=O)(=O)CC1CCC(F)(F)CC1)N1CCC(CC(=O)Nc2ccc(-n3cncn3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ ESR2 Q92731 2/20 0.35
▸ OPRM1 P35372 4/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ CCR5 P51681 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 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
SCHEMBL13930731 0.85 EPHX2 (0.44) EPHX2LMNA
SCHEMBL13930676 0.81 OPRM1 (0.40) OPRM1
SCHEMBL13930691 0.80 OPRM1 (0.41) OPRM1
SCHEMBL13930687 0.80 OPRM1 (0.38) OPRM1
SCHEMBL13930686 0.80 OPRM1 (0.38) OPRM1
SCHEMBL13930677 0.80 OPRM1 (0.38) OPRM1CCR5LMNA
SCHEMBL13930683 0.79 KCNJ6 (0.41) OPRM1CCR5
SCHEMBL13952029 0.78 OPRM1 (0.37) OPRM1CCR5LMNA
SCHEMBL13930682 0.78 OPRM1 (0.37) OPRM1CCR5
SCHEMBL13930679 0.78 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 ESR1 3135/4885CYP19A1 585/4885ESR2 1452/4885

“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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