SCHEMBL20074072

SCHEMBL20074072

CN(C)C(=O)c1ccc(N2CCC(CCCO)CC2)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.38
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
AKR1C3 P42330 1/20 0.36
MAPK8 P45983 1/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
MAPT P10636 1/20 0.34
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
SMO Q99835 2/20 0.34
HSD11B1 P28845 1/20 0.34
OPRK1 P41145 2/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33

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
SCHEMBL23838050 0.90 DRD2 (0.38) DRD2DRD3GPR119MAPTNR1H2
SCHEMBL20074081 0.90 MAPT (0.36) MAPK8DRD2DRD3GPR119MAPT
SCHEMBL20074073 0.88 HSD11B1 (0.36) MAPK8DRD2DRD3GPR119MAPT
SCHEMBL23838085 0.86 HSD11B1 (0.34) MAPK8DRD2DRD3CDK1CDK2
SCHEMBL20072198 0.86 HSD11B1 (0.37) MAPK8DRD2DRD3NR1H2NR1H3
SCHEMBL23838027 0.86 HSD11B1 (0.36) MAPK8DRD2DRD3GPR119MAPT
SCHEMBL23838091 0.86 GPR119 (0.41) DRD2DRD3GPR119MAPTHSD11B1
SCHEMBL23838087 0.84 ACHE (0.36) DRD2DRD3SMOACACBACACA
SCHEMBL23838043 0.84 CHRM4 (0.38) DRD2DRD3CDK1CDK2HSD11B1
SCHEMBL23838140 0.82 NR1H2 (0.42) GPR119NR1H2NR1H3SMOOPRK1

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-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

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 CYP11B2 228/4885CDK4 4256/4885CCND1 2541/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 CYP11B2 228/4885CDK4 4256/4885CCND1 2541/4885

“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.