SCHEMBL20072052

SCHEMBL20072052

CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)[C@]3(c4ccccc4)CCOC3)CC2)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.36
ACACA Q13085 4/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
ACHE P22303 2/20 0.33
ALDH1A1 P00352 1/20 0.33
OPRM1 P35372 1/20 0.32
MAPK8 P45983 1/20 0.32
NAPEPLD Q6IQ20 3/20 0.32
PIK3CB P42338 1/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL20072053 1.00 ACACB (0.36) ACACBACACALMNATSHRCYP2C19
SCHEMBL21644274 1.00 ACACB (0.36) ACACBACACALMNATSHRCYP2C19
SCHEMBL20072200 0.96 TSHR (0.37) ACACBACACALMNATSHRCYP2C19
SCHEMBL20071993 0.91 SIGMAR1 (0.36) ACACBACACATSHRACHEALDH1A1
SCHEMBL20071992 0.91 SIGMAR1 (0.36) ACACBACACATSHRACHEOPRM1
SCHEMBL20071812 0.87 ACHE (0.35) ACACBACACAACHEMAPK8NAPEPLD
SCHEMBL20074069 0.87 TPH1 (0.32) ACACBACACAALDH1A1NAPEPLD
SCHEMBL20071995 0.86 NPC1 (0.37) ACACBACACALMNAACHEALDH1A1
SCHEMBL20072283 0.85 GPR119 (0.36) ACACBACACAACHEMAPK8KCNH2
SCHEMBL21644308 0.85 GPR119 (0.36) ACACBACACAACHEMAPK8KCNH2

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 ACACB 603/4885ACACA 468/4885LMNA 1299/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 ACACB 603/4885ACACA 468/4885LMNA 1299/4885

“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.