SCHEMBL20072075

SCHEMBL20072075

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.36
▸ NR1H2 P55055 3/20 0.35
▸ NR1H3 Q13133 3/20 0.35
▸ GPR119 Q8TDV5 8/20 0.34
▸ KCNH2 Q12809 5/20 0.34
▸ SMO Q99835 3/20 0.33
▸ IDH1 O75874 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD11B1 P28845 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
SCHEMBL23838132 0.91 NR1H2 (0.36) NR1H2NR1H3GPR119KCNH2SMO
SCHEMBL21644334 0.89 SMO (0.35) OPRK1NR1H2NR1H3GPR119KCNH2
SCHEMBL23838177 0.87 NR1H2 (0.33) NR1H2NR1H3GPR119KCNH2SMO
SCHEMBL23838140 0.85 NR1H2 (0.42) OPRK1NR1H2NR1H3GPR119SMO
SCHEMBL21644386 0.84 OPRK1 (0.35) OPRK1NR1H2NR1H3GPR119KCNH2
SCHEMBL23838145 0.83 NR1H2 (0.41) OPRK1NR1H2NR1H3GPR119SMO
SCHEMBL20074083 0.83 NR1H2 (0.35) OPRK1NR1H2NR1H3GPR119SMO
SCHEMBL18838746 0.82 NR1H2 (0.39) NR1H2NR1H3GPR119SMOMEN1
SCHEMBL23838197 0.81 NR1H2 (0.39) NR1H2NR1H3GPR119SMOMEN1
SCHEMBL20072195 0.81 PTGER4 (0.44) OPRK1NR1H2NR1H3SMOCNR1

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 6 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
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-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 OPRK1 168/4885NR1H2 1/4885NR1H3 2/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 OPRK1 168/4885NR1H2 1/4885NR1H3 2/4885

“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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