SCHEMBL13951540

SCHEMBL13951540

C[C@H](CN(c1cccc(F)c1)S(=O)(=O)CC1CCCCC1)N1CCC(NC(=O)Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SIGMAR1 Q99720 5/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ OPRM1 P35372 4/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ACKR3 P25106 1/20 0.37
▸ CCR5 P51681 2/20 0.36
▸ CCR3 P51677 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
SCHEMBL13929244 0.93 PKM (0.46) PKMTSHRSIGMAR1OPRM1MEN1
SCHEMBL13929265 0.88 PKM (0.42) PKMTSHRSIGMAR1OPRM1MEN1
SCHEMBL13929262 0.85 SIGMAR1 (0.48) PKMTSHRSIGMAR1OPRM1MEN1
SCHEMBL13929253 0.84 OGA (0.43) OGAPKMTSHROPRM1
SCHEMBL13929251 0.81 TSHR (0.45) OGAPKMTSHRSIGMAR1MCHR1
SCHEMBL13929263 0.81 PKM (0.54) PKMTSHRSIGMAR1OPRM1CCR3
SCHEMBL13929257 0.81 OGA (0.47) OGASIGMAR1OPRM1
SCHEMBL13929239 0.79 PKM (0.52) PKMTSHRSIGMAR1CCR3
SCHEMBL13929291 0.78 SIGMAR1 (0.46) PKMTSHRSIGMAR1OPRM1CCR5
SCHEMBL13929242 0.78 SIGMAR1 (0.51) PKMTSHRSIGMAR1CCR3

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-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 OGA 4575/4885PKM 3209/4885TSHR 636/4885

“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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