SCHEMBL20071896

SCHEMBL20071896

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CHRM2 P08172 3/20 0.38
CHRM1 P11229 2/20 0.38
CHRM4 P08173 11/20 0.38
SCN9A Q15858 1/20 0.35
PIM1 P11309 2/20 0.35
ATM Q13315 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL20072128 1.00 NR1H2 (0.40) NR1H2NR1H3CHRM2CHRM1CHRM4
SCHEMBL20072211 0.94 NR1H2 (0.39) NR1H2NR1H3CHRM4
SCHEMBL20072033 0.94 NR1H2 (0.39) NR1H2NR1H3CHRM4
SCHEMBL20071899 0.92 AR (0.39) NR1H2NR1H3EPHX2
SCHEMBL20071892 0.92 NR1H2 (0.38) NR1H2NR1H3CHRM4
SCHEMBL21644329 0.92 AR (0.39) NR1H2NR1H3EPHX2
SCHEMBL21644251 0.92 NR1H2 (0.38) NR1H2NR1H3CHRM4
SCHEMBL21644080 0.91 NR1H2 (0.41) NR1H2NR1H3CHRM2CHRM1CHRM4
SCHEMBL20072032 0.91 NR1H2 (0.41) NR1H2NR1H3CHRM2CHRM1CHRM4
SCHEMBL21644366 0.90 NR1H2 (0.40) NR1H2NR1H3CHRM4

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 2/4885CHRM2 121/4885
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 2/4885CHRM2 121/4885

“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.