SCHEMBL21644348

SCHEMBL21644348

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ SMO Q99835 2/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ DEGS1 O15121 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.31
▸ DGAT1 O75907 1/20 0.30
▸ NR1H2 P55055 2/20 0.30
▸ NR1H3 Q13133 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PARP1 P09874 1/20 0.30

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
SCHEMBL21644386 0.86 OPRK1 (0.35) HSD11B1MAP4K4KCNH2GPR119SMO
SCHEMBL21644136 0.83 KCNH2 (0.35) HSD11B1MAP4K4KCNH2GPR119SMO
SCHEMBL20074083 0.82 NR1H2 (0.35) HSD11B1GPR119SMOCNR2IDH1
SCHEMBL23838138 0.82 HSD11B1 (0.36) HSD11B1MAP4K4SMODEGS1TRPV4
SCHEMBL18921624 0.81 SMO (0.34) HSD11B1MAP4K4KCNH2SMOTRPV4
SCHEMBL18931047 0.81 PDK1 (0.38) HSD11B1MAP4K4KCNH2SMOTRPV4
SCHEMBL20072198 0.81 HSD11B1 (0.37) HSD11B1MAP4K4KCNH2SMOIDH1
SCHEMBL20074072 0.78 CYP11B2 (0.38) HSD11B1GPR119SMONR1H2NR1H3
SCHEMBL20072195 0.78 PTGER4 (0.44) HSD11B1SMONR1H2NR1H3MEN1
SCHEMBL23838140 0.78 NR1H2 (0.42) GPR119SMOTRPV4NR1H2NR1H3

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 HSD11B1 412/4885MAP4K4 3862/4885KCNH2 1603/4885
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 3862/4885KCNH2 1603/4885

“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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