SCHEMBL21644386

SCHEMBL21644386

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ MAPK8 P45983 1/20 0.33
▸ SMO Q99835 3/20 0.33
▸ HSD11B1 P28845 3/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ PTGER4 P35408 2/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.31
▸ PTGES O14684 2/20 0.31
▸ NR1H2 P55055 2/20 0.31
▸ NR1H3 Q13133 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL21644136 0.89 KCNH2 (0.35) OPRK1KCNH2GPR119SMOHSD11B1
SCHEMBL21644348 0.86 HSD11B1 (0.33) KCNH2GPR119SMOHSD11B1MAP4K4
SCHEMBL18931047 0.85 PDK1 (0.38) KCNH2MAPK8SMOHSD11B1MAP4K4
SCHEMBL20072075 0.84 OPRK1 (0.36) OPRK1KCNH2GPR119SMOHSD11B1
SCHEMBL18921624 0.83 SMO (0.34) KCNH2MAPK8SMOHSD11B1MAP4K4
SCHEMBL20074072 0.82 CYP11B2 (0.38) OPRK1GPR119MAPK8SMOHSD11B1
SCHEMBL23838138 0.80 HSD11B1 (0.36) OPRK1SMOHSD11B1MAP4K4TRPV4
SCHEMBL20072195 0.80 PTGER4 (0.44) OPRK1SMOHSD11B1PTGER4CNR1
SCHEMBL20072210 0.80 ALDH1A1 (0.39) SMOHSD11B1NR1H2NR1H3MEN1
SCHEMBL23838140 0.80 NR1H2 (0.42) OPRK1GPR119SMOPTGER4CNR1

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 5 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

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 168/4885KCNH2 1603/4885GPR119 16/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 OPRK1 168/4885KCNH2 1603/4885GPR119 16/4885

“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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