SCHEMBL21644136

SCHEMBL21644136

CNC[C@@H]1C[C@@H]1CC1CCN(c2ccc(C(=O)N(C)C)c(Cl)n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ SMO Q99835 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ OPRK1 P41145 2/20 0.32
▸ P2RX7 Q99572 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.32
▸ NR1H2 P55055 3/20 0.32
▸ NR1H3 Q13133 3/20 0.32
▸ CKS1B P61024 4/20 0.32
▸ SKP1 P63208 4/20 0.32
▸ SKP2 Q13309 4/20 0.32
▸ PTGER4 P35408 1/20 0.31
▸ DEGS1 O15121 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
SCHEMBL21644386 0.89 OPRK1 (0.35) KCNH2GPR119MAP4K4SMOHSD11B1
SCHEMBL21644334 0.85 SMO (0.35) KCNH2GPR119MAP4K4SMOHSD11B1
SCHEMBL21644348 0.83 HSD11B1 (0.33) KCNH2GPR119MAP4K4SMOHSD11B1
SCHEMBL20074073 0.81 HSD11B1 (0.36) GPR119MAP4K4SMOHSD11B1OPRK1
SCHEMBL18921624 0.81 SMO (0.34) KCNH2MAP4K4SMOHSD11B1P2RX7
SCHEMBL18931047 0.81 PDK1 (0.38) KCNH2MAP4K4SMOHSD11B1MEN1
SCHEMBL23838138 0.80 HSD11B1 (0.36) MAP4K4SMOHSD11B1OPRK1MEN1
SCHEMBL21686416 0.78 NR1H2 (0.45) KCNH2GPR119SMOTRPV4NR1H2
SCHEMBL21644406 0.78 NR1H2 (0.45) KCNH2GPR119SMOTRPV4NR1H2
SCHEMBL23824835 0.78 NR1H2 (0.45) KCNH2GPR119SMOTRPV4NR1H2

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 KCNH2 1603/4885GPR119 16/4885MAP4K4 3862/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 KCNH2 1603/4885GPR119 16/4885MAP4K4 3862/4885

“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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