SCHEMBL20074083

SCHEMBL20074083

CN(C)C(=O)c1ccc(N2CCC([C@H]3C[C@H]3C=O)CC2)nc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.35
▸ NR1H3 Q13133 3/20 0.35
▸ OPRK1 P41145 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMO Q99835 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ HTR3E A5X5Y0 1/20 0.31
▸ HTR3B O95264 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ HTR3D Q70Z44 1/20 0.31
▸ HTR3C Q8WXA8 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
SCHEMBL23838140 0.85 NR1H2 (0.42) NR1H2NR1H3OPRK1MEN1KMT2A
SCHEMBL22368344 0.84 NR1H2 (0.39) NR1H2NR1H3OPRK1MEN1KMT2A
SCHEMBL23838145 0.83 NR1H2 (0.41) NR1H2NR1H3OPRK1MEN1KMT2A
SCHEMBL20072075 0.83 OPRK1 (0.36) NR1H2NR1H3OPRK1MEN1KMT2A
SCHEMBL23838177 0.83 NR1H2 (0.33) NR1H2NR1H3SMOGPR119IDH1
SCHEMBL21644348 0.82 HSD11B1 (0.33) NR1H2NR1H3MEN1KMT2ASMN1; SMN2
SCHEMBL23838132 0.82 NR1H2 (0.36) NR1H2NR1H3MEN1KMT2ALMNA
SCHEMBL23838197 0.81 NR1H2 (0.39) NR1H2NR1H3MEN1KMT2ALMNA
SCHEMBL20072195 0.81 PTGER4 (0.44) NR1H2NR1H3OPRK1MEN1KMT2A
SCHEMBL20072210 0.81 ALDH1A1 (0.39) NR1H2NR1H3MEN1KMT2ALMNA

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 NR1H2 1/4885NR1H3 2/4885OPRK1 168/4885
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 2/4885OPRK1 168/4885

“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.

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