SCHEMBL20071837

SCHEMBL20071837

CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)[C@@](O)(c3cccc(OC4CC4)c3)C(F)(F)F)CC2)nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.39
NR1H3 Q13133 4/20 0.39
AR P10275 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.33
FFAR1 O14842 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
DGAT1 O75907 1/20 0.32
HRH1 P35367 1/20 0.32
CCR3 P51677 1/20 0.32
KCNH2 Q12809 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL21644326 1.00 NR1H2 (0.39) NR1H2NR1H3ARL3MBTL1KMT2A
SCHEMBL20074046 1.00 NR1H2 (0.39) NR1H2NR1H3ARL3MBTL1KMT2A
SCHEMBL21644410 0.93 NR1H2 (0.39) NR1H2NR1H3FFAR1FFAR4
SCHEMBL20071910 0.93 NR1H2 (0.39) NR1H2NR1H3FFAR1FFAR4
SCHEMBL21644306 0.93 NR1H2 (0.39) NR1H2NR1H3FFAR1FFAR4
SCHEMBL20072012 0.93 NR1H2 (0.39) NR1H2NR1H3FFAR1FFAR4
SCHEMBL21644153 0.93 NR1H2 (0.39) NR1H2NR1H3FFAR1FFAR4
SCHEMBL20071909 0.93 NR1H2 (0.35) NR1H2NR1H3ARL3MBTL1KMT2A
SCHEMBL21644374 0.92 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL21644265 0.92 NR1H2 (0.40) NR1H2NR1H3

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 6 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
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
WO-2018071313-A1 N-ARYL AND N-HETEROARYL 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 (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 2/4885AR 202/4885
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 2/4885AR 202/4885

“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.