SCHEMBL13929291

SCHEMBL13929291

C[C@H](CN(c1ccccc1)S(=O)(=O)CC1CCC(F)(F)CC1)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.46
▸ OPRM1 P35372 4/20 0.46
▸ PKM P14618 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CCR3 P51677 1/20 0.41
▸ CCR5 P51681 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
SCHEMBL13929262 0.92 SIGMAR1 (0.48) SIGMAR1OPRM1PKMTSHRCCR3
SCHEMBL13929253 0.91 OGA (0.43) OPRM1PKMTSHR
SCHEMBL4220531 0.87 SIGMAR1 (0.54) SIGMAR1OPRM1PKMTSHRCCR3
SCHEMBL13929244 0.85 PKM (0.46) SIGMAR1OPRM1PKMTSHRCCR3
SCHEMBL13929280 0.84 OPRM1 (0.39) OPRM1
SCHEMBL13929277 0.83 OPRM1 (0.37) OPRM1
SCHEMBL13929286 0.83 P2RX7 (0.38) OPRM1
SCHEMBL13929281 0.83 OPRM1 (0.37) OPRM1
SCHEMBL13951459 0.83 OPRM1 (0.37) OPRM1
SCHEMBL13929287 0.83 MEN1 (0.41) OPRM1TSHR

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-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity EUROSCREEN S.A. (BE) 2009-02-26 — — US disclosed
US-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity EUROSCREEN S.A. (BE) 2009-02-26 — — 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-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity ACKR3, CCR5, CCR7 SIGMAR1 129/4885OPRM1 37/4885PKM 3209/4885

“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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