SCHEMBL20072076

SCHEMBL20072076

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
ATM Q13315 1/20 0.33
PTPN11 Q06124 1/20 0.32
PIM1 P11309 2/20 0.31
CHRM4 P08173 1/20 0.31
CCR6 P51684 5/20 0.30
KCNH2 Q12809 3/20 0.30
FFAR4 Q5NUL3 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 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
SCHEMBL21644398 1.00 NR1H2 (0.35) NR1H2NR1H3ATMPTPN11PIM1
SCHEMBL20071887 0.94 NR1H2 (0.34) NR1H2NR1H3CCR6KCNH2
SCHEMBL20074041 0.94 NR1H2 (0.34) NR1H2NR1H3CCR6KCNH2
SCHEMBL21686296 0.89 NR1H2 (0.41) NR1H2NR1H3PTPN11
SCHEMBL20071888 0.89 NR1H2 (0.41) NR1H2NR1H3PTPN11
SCHEMBL21644265 0.87 NR1H2 (0.40) NR1H2NR1H3ATMPIM1CHRM4
SCHEMBL21644286 0.87 NR1H2 (0.34) NR1H2NR1H3
SCHEMBL20071911 0.87 NR1H2 (0.40) NR1H2NR1H3ATMPIM1CHRM4
SCHEMBL21644374 0.87 NR1H2 (0.40) NR1H2NR1H3ATMPIM1CHRM4
SCHEMBL21644287 0.87 NR1H2 (0.34) 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 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 2/4885ATM 4338/4885
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 2/4885ATM 4338/4885

“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.