SCHEMBL20074068

SCHEMBL20074068

CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)[C@@](O)(c3cccc(C(F)(F)F)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
PDK2 Q15119 1/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
TACR1 P25103 2/20 0.34
OPRM1 P35372 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR2 P34972 1/20 0.33
FFAR1 O14842 1/20 0.33
NPY2R P49146 1/20 0.33
CHRM4 P08173 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
POLB P06746 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL20072157 1.00 NR1H2 (0.41) NR1H2NR1H3PDK2DRD2DRD3
SCHEMBL20072156 1.00 NR1H2 (0.41) NR1H2NR1H3PDK2DRD2DRD3
SCHEMBL21686280 0.94 NR1H2 (0.41) NR1H2NR1H3DRD2DRD3OPRM1
SCHEMBL20071994 0.93 NR1H2 (0.41) NR1H2NR1H3DRD2DRD3OPRM1
SCHEMBL21644375 0.93 NR1H2 (0.41) NR1H2NR1H3DRD2DRD3TACR1
SCHEMBL20071814 0.93 NR1H2 (0.41) NR1H2NR1H3DRD2DRD3TACR1
SCHEMBL21686356 0.93 NR1H2 (0.41) NR1H2NR1H3DRD2DRD3OPRM1
SCHEMBL20074053 0.93 NR1H2 (0.41) NR1H2NR1H3DRD2DRD3TACR1
SCHEMBL21644358 0.92 NR1H2 (0.42) NR1H2NR1H3DRD2DRD3TACR1
SCHEMBL20071833 0.92 NR1H2 (0.42) NR1H2NR1H3DRD2DRD3TACR1

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 7 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
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
WO-2018071313-A1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO 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 2/4885PDK2 2328/4885
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 2/4885PDK2 2328/4885

“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.