SCHEMBL21644266

SCHEMBL21644266

CN(C)C(=O)c1ccc(N2CCC(C[C@@H]3C[C@H]3CN(C)C(=O)C(O)(c3ccccc3)C(F)(F)F)CC2)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.45
▸ NR1H3 Q13133 4/20 0.45
▸ DRD2 P14416 4/20 0.34
▸ OPRM1 P35372 4/20 0.34
▸ DRD3 P35462 4/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.31
▸ SMO Q99835 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ CKS1B P61024 1/20 0.30
▸ SKP1 P63208 1/20 0.30
▸ SKP2 Q13309 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ GPR119 Q8TDV5 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL23824835 1.00 NR1H2 (0.45) NR1H2NR1H3DRD2OPRM1DRD3
SCHEMBL21686417 1.00 NR1H2 (0.45) NR1H2NR1H3DRD2OPRM1DRD3
SCHEMBL21644406 1.00 NR1H2 (0.45) NR1H2NR1H3DRD2OPRM1DRD3
SCHEMBL20072185 1.00 NR1H2 (0.45) NR1H2NR1H3DRD2OPRM1DRD3
SCHEMBL21686416 1.00 NR1H2 (0.45) NR1H2NR1H3DRD2OPRM1DRD3
SCHEMBL20072186 0.90 NR1H2 (0.38) NR1H2NR1H3KCNH2GPR119
SCHEMBL20072071 0.90 NR1H2 (0.38) NR1H2NR1H3KCNH2GPR119
SCHEMBL20072061 0.90 NR1H2 (0.38) NR1H2NR1H3KCNH2GPR119
SCHEMBL20074076 0.88 NR1H2 (0.49) NR1H2NR1H3DRD2OPRM1DRD3
SCHEMBL23824836 0.88 NR1H2 (0.49) NR1H2NR1H3DRD2OPRM1DRD3

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 NR1H2 1/4885NR1H3 2/4885DRD2 403/4885
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 2/4885DRD2 403/4885

“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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