SCHEMBL13931081

SCHEMBL13931081

COC(=O)c1cccc(N(CCN2CCC(CC(=O)Nc3ccc(OC)cc3)CC2)S(=O)(=O)Cc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.44
▸ ACHE P22303 2/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CCR3 P51677 3/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13931078 0.92 SMN1; SMN2 (0.50) OPRM1ACHEEPHX2MAPTTP53
SCHEMBL13930715 0.87 UBE2M (0.46) OPRM1EPHX2MAPTTP53KMT2A
SCHEMBL13930717 0.82 UBE2M (0.45) OPRM1EPHX2MAPTKMT2AMEN1
SCHEMBL13930654 0.81 CA1 (0.49) OPRM1MAPTKMT2AMEN1CCR3
SCHEMBL13930707 0.79 UBE2M (0.44) OPRM1EPHX2KMT2AMEN1SMN1; SMN2
SCHEMBL13952140 0.79 TPSAB1 (0.50) OPRM1EPHX2MAPTKMT2AMEN1
SCHEMBL13930609 0.79 EPHX2 (0.57) OPRM1EPHX2MAPTTP53KMT2A
SCHEMBL13930712 0.79 SMN1; SMN2 (0.49) EPHX2MAPTTP53KMT2AMEN1
SCHEMBL13952139 0.78 RORC (0.55) MAPTKMT2AMEN1CCR3LMNA
SCHEMBL13930692 0.78 UBE2M (0.49) OPRM1EPHX2MAPTKMT2AMEN1

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 202/4885ACHE 813/4885EPHX2 2311/4885

“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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