SCHEMBL13930683

SCHEMBL13930683

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNJ6 P48051 2/20 0.41
▸ KCNJ5 P48544 2/20 0.41
▸ KCNJ3 P48549 2/20 0.41
▸ OPRM1 P35372 4/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ CCR5 P51681 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL13930676 0.89 OPRM1 (0.40) OPRM1
SCHEMBL13930675 0.86 OPRM1 (0.37) KCNJ6KCNJ5KCNJ3OPRM1CCR5
SCHEMBL13930677 0.85 OPRM1 (0.38) OPRM1CCR5HTTSMN1; SMN2
SCHEMBL13930691 0.84 OPRM1 (0.41) OPRM1
SCHEMBL13930680 0.84 OPRM1 (0.37) OPRM1CCR5TSHRSMN1; SMN2
SCHEMBL13930682 0.84 OPRM1 (0.37) OPRM1CCR5
SCHEMBL13952029 0.84 OPRM1 (0.37) OPRM1CCR5TSHRSMN1; SMN2
SCHEMBL13930679 0.84 OPRM1 (0.37) OPRM1CCR5
SCHEMBL13952143 0.83 OPRM1 (0.39) OPRM1
SCHEMBL13930681 0.83 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 KCNJ6 2109/4885KCNJ5 1909/4885KCNJ3 2520/4885

“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.

Send feedback