SCHEMBL22894982

SCHEMBL22894982

CNC(=O)c1ccc(NCCCCC2CCN(C(=O)C(F)(F)F)CC2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 13/20 0.43
▸ AVPR2 P30518 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ ITGB3 P05106 2/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ ACP1 P24666 1/20 0.38
▸ SCN9A Q15858 1/20 0.38

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
SCHEMBL22895044 0.89 GPR119 (0.44) GPR119ITGB3ITGA2BACP1
SCHEMBL22894951 0.87 NR1H2 (0.51) GPR119AVPR2ITGB3ITGA2BACP1
SCHEMBL22894952 0.87 NR1H2 (0.51) GPR119AVPR2ITGB3ITGA2BACP1
SCHEMBL22894953 0.87 NR1H2 (0.42) GPR119AVPR2
SCHEMBL22894955 0.87 NR1H2 (0.42) GPR119AVPR2
SCHEMBL20077312 0.86 GPR119 (0.60) GPR119
SCHEMBL20077328 0.85 NR1H2 (0.44) GPR119AVPR2ITGB3ITGA2BACP1
SCHEMBL22894988 0.85 NR1H2 (0.44) GPR119AVPR2ITGB3ITGA2BACP1
SCHEMBL22894974 0.84 NR1H2 (0.43) GPR119AVPR2ITGB3ITGA2BACP1
SCHEMBL22894975 0.84 NR1H2 (0.43) GPR119AVPR2ITGB3ITGA2BACP1

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-10894775-B2 Piperidine derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2021-01-19 — — 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-10894775-B2 Piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, ADRB1 GPR119 7/4885AVPR2 1787/4885CNR1 41/4885

“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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