SCHEMBL20072071

SCHEMBL20072071

COc1cccc([C@@](O)(C(=O)N(C)C[C@@H]2C[C@@H]2CC2CCN(c3ccc(C(=O)N(C)C)c(Cl)n3)CC2)C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.38
▸ NR1H3 Q13133 4/20 0.38
▸ FFAR1 O14842 4/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL20072061 1.00 NR1H2 (0.38) NR1H2NR1H3FFAR1KCNH2GPR119
SCHEMBL20072186 1.00 NR1H2 (0.38) NR1H2NR1H3FFAR1KCNH2GPR119
SCHEMBL21644266 0.90 NR1H2 (0.45) NR1H2NR1H3KCNH2GPR119
SCHEMBL21686417 0.90 NR1H2 (0.45) NR1H2NR1H3KCNH2GPR119
SCHEMBL21644406 0.90 NR1H2 (0.45) NR1H2NR1H3KCNH2GPR119
SCHEMBL23824835 0.90 NR1H2 (0.45) NR1H2NR1H3KCNH2GPR119
SCHEMBL21686416 0.90 NR1H2 (0.45) NR1H2NR1H3KCNH2GPR119
SCHEMBL20072185 0.90 NR1H2 (0.45) NR1H2NR1H3KCNH2GPR119
SCHEMBL20072138 0.90 NR1H2 (0.41) NR1H2NR1H3KCNH2GPR119CCR1
SCHEMBL21686407 0.90 NR1H2 (0.41) NR1H2NR1H3KCNH2GPR119CCR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526203-B1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2021-09-22 — — EP disclosed
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2021-03-30 — — US disclosed
US-20200039951-A1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2020-02-06 — — US disclosed
WO-2018068297-A1 N-ARYL AND N-HETEROARYL 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 (2 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-20200039951-A1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885FFAR1 22/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885FFAR1 22/4885

“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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