SCHEMBL21686280

SCHEMBL21686280

CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)C(O)(c3cccc(Cl)c3)C(F)(F)F)CC2)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.41
NR1H3 Q13133 4/20 0.41
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
OPRM1 P35372 1/20 0.32
MAPK8 P45983 2/20 0.32
SLC6A3 Q01959 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TPH1 P17752 1/20 0.31
PDE10A Q9Y233 2/20 0.31
NAPEPLD Q6IQ20 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
CNR2 P34972 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
SCHEMBL20072156 0.94 NR1H2 (0.41) NR1H2NR1H3DRD2DRD3OPRM1
SCHEMBL20072157 0.94 NR1H2 (0.41) NR1H2NR1H3DRD2DRD3OPRM1
SCHEMBL20074068 0.94 NR1H2 (0.41) NR1H2NR1H3DRD2DRD3OPRM1
SCHEMBL21686356 0.93 NR1H2 (0.41) NR1H2NR1H3DRD2DRD3OPRM1
SCHEMBL20071994 0.93 NR1H2 (0.41) NR1H2NR1H3DRD2DRD3OPRM1
SCHEMBL20074053 0.93 NR1H2 (0.41) NR1H2NR1H3DRD2DRD3OPRM1
SCHEMBL20071814 0.93 NR1H2 (0.41) NR1H2NR1H3DRD2DRD3OPRM1
SCHEMBL21644375 0.93 NR1H2 (0.41) NR1H2NR1H3DRD2DRD3OPRM1
SCHEMBL20074045 0.93 NR1H2 (0.39) NR1H2NR1H3DRD2DRD3MAPK8
SCHEMBL20071912 0.93 NR1H2 (0.39) NR1H2NR1H3DRD2DRD3MAPK8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.