SCHEMBL20071909

SCHEMBL20071909

CN(C)C(=O)c1ccc(N2CCCC(CCCN(C)C(=O)[C@@](O)(c3cccc(OC4CC4)c3)C(F)(F)F)C2)nc1Cl

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HSD11B1 P28845 2/20 0.33
IDH1 O75874 6/20 0.33
DGAT2 Q96PD7 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACACB O00763 1/20 0.31
AR P10275 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
SCHEMBL20071837 0.93 NR1H2 (0.39) NR1H2NR1H3KMT2AL3MBTL1HCRTR1
SCHEMBL20074046 0.93 NR1H2 (0.39) NR1H2NR1H3KMT2AL3MBTL1HCRTR1
SCHEMBL21644326 0.93 NR1H2 (0.39) NR1H2NR1H3KMT2AL3MBTL1HCRTR1
SCHEMBL20071914 0.89 NR1H2 (0.36) NR1H2NR1H3ALDH1A1HSD11B1IDH1
SCHEMBL20071835 0.89 NR1H2 (0.36) NR1H2NR1H3ALDH1A1HSD11B1IDH1
SCHEMBL23838164 0.89 NR1H2 (0.36) NR1H2NR1H3ALDH1A1HSD11B1IDH1
SCHEMBL23838196 0.89 NR1H2 (0.36) NR1H2NR1H3ALDH1A1HSD11B1IDH1
SCHEMBL20074096 0.89 NR1H2 (0.36) NR1H2NR1H3ALDH1A1HSD11B1IDH1
SCHEMBL21644410 0.86 NR1H2 (0.39) NR1H2NR1H3TDP1ACACB
SCHEMBL20071910 0.86 NR1H2 (0.39) NR1H2NR1H3TDP1ACACB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NR1H2 1/4885NR1H3 2/4885ALDH1A1 736/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885ALDH1A1 736/4885

“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.