SCHEMBL20072049

SCHEMBL20072049

CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)C(O)(c3cccc(OC(F)F)c3)C(F)(F)F)CC2)nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.39
NR1H3 Q13133 4/20 0.39
DGAT2 Q96PD7 3/20 0.35
FFAR1 O14842 2/20 0.34
MELK Q14680 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
FFAR4 Q5NUL3 2/20 0.32
GLS O94925 2/20 0.31
TPH1 P17752 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 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
SCHEMBL21644325 1.00 NR1H2 (0.39) NR1H2NR1H3DGAT2FFAR1MELK
SCHEMBL21644283 1.00 NR1H2 (0.39) NR1H2NR1H3DGAT2FFAR1MELK
SCHEMBL20071834 0.94 NR1H2 (0.39) NR1H2NR1H3FFAR1FFAR4TPH1
SCHEMBL21644374 0.94 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL20071911 0.94 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL21644265 0.94 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL21644306 0.93 NR1H2 (0.39) NR1H2NR1H3FFAR1FFAR4TDP1
SCHEMBL20072012 0.93 NR1H2 (0.39) NR1H2NR1H3FFAR1FFAR4TDP1
SCHEMBL21644153 0.93 NR1H2 (0.39) NR1H2NR1H3FFAR1FFAR4TDP1
SCHEMBL21644326 0.92 NR1H2 (0.39) NR1H2NR1H3FFAR1FFAR4

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 7 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-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
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 2/4885DGAT2 1795/4885
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 2/4885DGAT2 1795/4885

“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.