SCHEMBL20072159

SCHEMBL20072159

COc1cccc([C@]2(C(=O)N(C)CCCC3CCN(c4ccc(C(=O)N(C)C)c(Cl)n4)CC3)CCCO2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.36
FFAR1 O14842 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ACHE P22303 1/20 0.34
DGAT2 Q96PD7 1/20 0.33
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
FAAH O00519 1/20 0.32
C5AR1 P21730 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
TACR3 P29371 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL21644126 1.00 GPR119 (0.36) GPR119FFAR1NPC1RAB9AACHE
SCHEMBL20072158 1.00 GPR119 (0.36) GPR119FFAR1NPC1RAB9AACHE
SCHEMBL20072123 0.92 GPR119 (0.34) GPR119TDP1TACR3
SCHEMBL21644393 0.92 GPR119 (0.34) GPR119TDP1TACR3
SCHEMBL20072118 0.92 GPR119 (0.34) GPR119TDP1TACR3
SCHEMBL21644308 0.90 GPR119 (0.36) GPR119NPC1RAB9AACHEMEN1
SCHEMBL20071908 0.90 GPR119 (0.36) GPR119NPC1RAB9AACHEMEN1
SCHEMBL20072283 0.90 GPR119 (0.36) GPR119NPC1RAB9AACHEMEN1
SCHEMBL20071995 0.88 NPC1 (0.37) FFAR1NPC1RAB9AACHEDGAT2
SCHEMBL21644192 0.87 GPR119 (0.35) GPR119NPC1RAB9ADGAT2FAAH

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 16/4885FFAR1 22/4885NPC1 17/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 GPR119 16/4885FFAR1 22/4885NPC1 17/4885

“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.