SCHEMBL20072283

SCHEMBL20072283

CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)[C@]3(c4ccccc4)CCCO3)CC2)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.36
ACHE P22303 2/20 0.33
ACACB O00763 5/20 0.33
ACACA Q13085 5/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK8 P45983 1/20 0.32
KCNH2 Q12809 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31

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
SCHEMBL21644308 1.00 GPR119 (0.36) GPR119ACHEACACBACACAMEN1
SCHEMBL20071908 1.00 GPR119 (0.36) GPR119ACHEACACBACACAMEN1
SCHEMBL21644393 0.93 GPR119 (0.34) GPR119ACACBACACAMAPK8
SCHEMBL20072123 0.93 GPR119 (0.34) GPR119ACACBACACAMAPK8
SCHEMBL20072118 0.93 GPR119 (0.34) GPR119ACACBACACAMAPK8
SCHEMBL21644252 0.92 GPR119 (0.35) GPR119ACHEACACBACACAMEN1
SCHEMBL20072119 0.92 GPR119 (0.35) GPR119ACHEACACBACACAMEN1
SCHEMBL21644225 0.91 GPR119 (0.35) GPR119ACHEACACBACACAMEN1
SCHEMBL20071823 0.91 GPR119 (0.35) GPR119ACHEACACBACACAMEN1
SCHEMBL20072008 0.91 GPR119 (0.35) GPR119ACHEACACBACACAMEN1

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 8 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-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
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 GPR119 16/4885ACHE 315/4885ACACB 603/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 GPR119 16/4885ACHE 315/4885ACACB 603/4885

“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.