SCHEMBL20077707

SCHEMBL20077707

CNC(=O)c1ccc(NCCCCC2CCN(C(=O)[C@](O)(c3cccc(OC)c3)C(F)(F)F)CC2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 3/20 0.38
▸ GPR119 Q8TDV5 10/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CPS1 P31327 1/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ SCN9A Q15858 1/20 0.35

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
SCHEMBL20077052 0.92 NR1H2 (0.42) CCR3GPR119KMT2ANR1H2NR1H3
SCHEMBL20077090 0.86 NR1H2 (0.42) GPR119NR1H2NR1H3CHRM2CHRM5
SCHEMBL20077736 0.86 NR1H2 (0.42) GPR119NR1H2NR1H3CHRM2CHRM5
SCHEMBL22894976 0.85 NR1H2 (0.41) GPR119NR1H2NR1H3CHRM2CHRM1
SCHEMBL20077708 0.85 NR1H2 (0.41) CCR3GPR119KMT2ANR1H2NR1H3
SCHEMBL22894954 0.85 NR1H2 (0.41) CCR3GPR119KMT2ANR1H2NR1H3
SCHEMBL20077091 0.85 NR1H2 (0.41) GPR119NR1H2NR1H3CHRM2CHRM1
SCHEMBL22894988 0.83 NR1H2 (0.44) GPR119NR1H2NR1H3CHRM2CHRM1
SCHEMBL20077328 0.83 NR1H2 (0.44) GPR119NR1H2NR1H3CHRM2CHRM1
SCHEMBL22895062 0.83 NR1H2 (0.54) GPR119KMT2ANR1H2NR1H3

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-10894775-B2 Piperidine derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2021-01-19 — — US disclosed
WO-2018068296-A1 PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 — — WO 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 CCR3 645/4885GPR119 7/4885KMT2A 2365/4885

“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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