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SCHEMBL21644366

SCHEMBL21644366

CN(C)C(=O)c1ccc(N2CCC(CCCNC(=O)[C@@](O)(c3cccc(O)c3)C(F)(F)F)CC2)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.40
▸ NR1H3 Q13133 4/20 0.40
▸ SCD O00767 2/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ CKS1B P61024 3/20 0.33
▸ SKP1 P63208 3/20 0.33
▸ SKP2 Q13309 3/20 0.33
▸ NSD2 O96028 2/20 0.33
▸ CHRM4 P08173 3/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ SIRT3 Q9NTG7 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ MAPK8 P45983 1/20 0.32

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
SCHEMBL20072278 1.00 NR1H2 (0.40) NR1H2NR1H3SCDDRD2DRD3
SCHEMBL20072209 1.00 NR1H2 (0.40) NR1H2NR1H3SCDDRD2DRD3
SCHEMBL21644080 0.92 NR1H2 (0.41) NR1H2NR1H3SCDDRD2DRD3
SCHEMBL20072032 0.92 NR1H2 (0.41) NR1H2NR1H3SCDDRD2DRD3
SCHEMBL20071900 0.92 NR1H2 (0.46) NR1H2NR1H3SCDDRD2DRD3
SCHEMBL20071893 0.92 NR1H2 (0.46) NR1H2NR1H3SCDDRD2DRD3
SCHEMBL21644109 0.92 NR1H2 (0.46) NR1H2NR1H3SCDDRD2DRD3
SCHEMBL21644331 0.91 NR1H2 (0.39) NR1H2NR1H3SCDDRD2DRD3
SCHEMBL20071901 0.91 NR1H2 (0.39) NR1H2NR1H3SCDDRD2DRD3
SCHEMBL20072033 0.91 NR1H2 (0.39) NR1H2NR1H3DRD2DRD3CHRM4

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 2/4885SCD 1403/4885
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 2/4885SCD 1403/4885

“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.