SCHEMBL20072029

SCHEMBL20072029

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.34
GPR119 Q8TDV5 3/20 0.34
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
ITGB7 P26010 2/20 0.33
MAPK8 P45983 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
SCD O00767 1/20 0.32
NAMPT P43490 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32

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
SCHEMBL20072031 1.00 CHRM4 (0.34) CHRM4GPR119ITGB1ITGA4ITGB7
SCHEMBL21644113 1.00 CHRM4 (0.34) CHRM4GPR119ITGB1ITGA4ITGB7
SCHEMBL21644308 0.87 GPR119 (0.36) GPR119MAPK8ACACBACACATRPV4
SCHEMBL20071908 0.87 GPR119 (0.36) GPR119MAPK8ACACBACACATRPV4
SCHEMBL20072283 0.87 GPR119 (0.36) GPR119MAPK8ACACBACACATRPV4
SCHEMBL20072030 0.87 SMN1; SMN2 (0.39) CHRM4MAPK8SCDCHRM2
SCHEMBL20072130 0.87 SMN1; SMN2 (0.41) CHRM4MAPK8CHRM2
SCHEMBL21644252 0.81 GPR119 (0.35) GPR119ACACBACACATRPV4
SCHEMBL20072119 0.81 GPR119 (0.35) GPR119ACACBACACATRPV4
SCHEMBL21644393 0.80 GPR119 (0.34) GPR119MAPK8ACACBACACA

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 CHRM4 276/4885GPR119 16/4885ITGB1 1868/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 CHRM4 276/4885GPR119 16/4885ITGB1 1868/4885

“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.