SCHEMBL20077386

SCHEMBL20077386

CNC(=O)c1ccc(NCCCCC2CCNCC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 2/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ CHRM1 P11229 8/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ AVPR2 P30518 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ PRMT3 O60678 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTR4 Q13639 1/20 0.37

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
SCHEMBL22894982 0.83 GPR119 (0.43) ACP1ITGB3ITGA2BAVPR2
SCHEMBL20077312 0.80 GPR119 (0.60) —
SCHEMBL20077327 0.77 ITGB3 (0.40) ACP1ITGB3ITGA2BAVPR2
SCHEMBL20077088 0.76 GPR119 (0.39) ACP1ITGB3ITGA2BAVPR2
SCHEMBL22894953 0.76 NR1H2 (0.42) AVPR2
SCHEMBL22894951 0.76 NR1H2 (0.51) ACP1ITGB3ITGA2BCHRM1AVPR2
SCHEMBL22894955 0.76 NR1H2 (0.42) AVPR2
SCHEMBL22894952 0.76 NR1H2 (0.51) ACP1ITGB3ITGA2BCHRM1AVPR2
SCHEMBL20077324 0.76 AVPR2 (0.41) ACP1AVPR2
SCHEMBL22894988 0.75 NR1H2 (0.44) ACP1ITGB3ITGA2BCHRM1AVPR2

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-2018071315-A2 PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA 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 ACP1 4561/4885ITGB3 2652/4885ITGA2B 2736/4885

“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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