SCHEMBL13952184

SCHEMBL13952184

C[C@H](CN(c1ccccc1)S(=O)(=O)Cc1ccccc1)N1CCC(CC(=O)Nc2ccc(OS)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.45
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ UBE2M P61081 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL13930692 0.92 UBE2M (0.49) OPRM1UBE2MDCUN1D1EPHX2LMNA
SCHEMBL13930670 0.89 OPRM1 (0.47) OPRM1GRIN1GRIN2BLMNA
SCHEMBL13930723 0.88 UBE2M (0.43) OPRM1UBE2MDCUN1D1MMP2MMP9
SCHEMBL13930716 0.87 UBE2M (0.46) OPRM1GRIN1GRIN2BUBE2MDCUN1D1
SCHEMBL13930729 0.86 RORC (0.56) OPRM1GRIN1GRIN2B
SCHEMBL13930712 0.86 SMN1; SMN2 (0.49) GRIN1GRIN2BUBE2MDCUN1D1EPHX2
SCHEMBL13930718 0.86 TPSAB1 (0.51) OPRM1GRIN1GRIN2BUBE2MDCUN1D1
SCHEMBL13930730 0.85 UBE2M (0.51) OPRM1UBE2MDCUN1D1
SCHEMBL13930720 0.85 MAPT (0.41) OPRM1GRIN1GRIN2BMAPT
SCHEMBL13930717 0.85 UBE2M (0.45) OPRM1UBE2MDCUN1D1EPHX2LMNA

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 202/4885GRIN1 545/4885GRIN2B 365/4885

“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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