SCHEMBL20074073

SCHEMBL20074073

CNCCCC1CCN(c2ccc(C(=O)N(C)C)c(Cl)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.36
MAP4K4 O95819 1/20 0.36
MAPT P10636 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
SMO Q99835 2/20 0.35
OPRK1 P41145 1/20 0.34
DEGS1 O15121 1/20 0.34
MAPK8 P45983 1/20 0.34
SCD O00767 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
CHRM4 P08173 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
SCHEMBL23838027 0.89 HSD11B1 (0.36) HSD11B1MAP4K4MAPTDRD2DRD3
SCHEMBL20074072 0.88 CYP11B2 (0.38) HSD11B1MAPTDRD2DRD3SMO
SCHEMBL20074081 0.87 MAPT (0.36) HSD11B1MAP4K4MAPTDRD2DRD3
SCHEMBL23838050 0.87 DRD2 (0.38) HSD11B1MAPTDRD2DRD3SMO
SCHEMBL23838085 0.84 HSD11B1 (0.34) HSD11B1MAP4K4MAPTDRD2DRD3
SCHEMBL20072198 0.83 HSD11B1 (0.37) HSD11B1MAP4K4DRD2DRD3SMO
SCHEMBL23838091 0.83 GPR119 (0.41) HSD11B1MAPTDRD2DRD3GPR119
SCHEMBL23838171 0.83 DRD4 (0.40) DRD2DRD3MEN1KMT2A
SCHEMBL20071898 0.82 KEAP1 (0.42) CHRM4
SCHEMBL23824831 0.82 NR1H2 (0.40) HSD11B1MAPTDRD2DRD3SMO

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 HSD11B1 412/4885MAP4K4 3862/4885MAPT 1298/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 HSD11B1 412/4885MAP4K4 3862/4885MAPT 1298/4885

“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.