SCHEMBL20072033

SCHEMBL20072033

COc1cccc([C@@](O)(C(=O)NCCCC2CCN(c3ccc(C(=O)N(C)C)c(Cl)n3)CC2)C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CHRM4 P08173 3/20 0.36
NQO2 P16083 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DRD4 P21917 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.33
AR P10275 1/20 0.33
IDH1 O75874 1/20 0.33
HTR2A P28223 1/20 0.33
CCR3 P51677 1/20 0.33

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
SCHEMBL20072211 1.00 NR1H2 (0.39) NR1H2NR1H3CHRM4NQO2MTNR1A
SCHEMBL20071896 0.94 NR1H2 (0.40) NR1H2NR1H3CHRM4
SCHEMBL20072128 0.94 NR1H2 (0.40) NR1H2NR1H3CHRM4
SCHEMBL20071899 0.93 AR (0.39) NR1H2NR1H3DRD2DRD3AR
SCHEMBL21644329 0.93 AR (0.39) NR1H2NR1H3DRD2DRD3AR
SCHEMBL21644251 0.93 NR1H2 (0.38) NR1H2NR1H3CHRM4AR
SCHEMBL20071892 0.93 NR1H2 (0.38) NR1H2NR1H3CHRM4AR
SCHEMBL20072278 0.91 NR1H2 (0.40) NR1H2NR1H3CHRM4DRD2DRD3
SCHEMBL21644366 0.91 NR1H2 (0.40) NR1H2NR1H3CHRM4DRD2DRD3
SCHEMBL20072209 0.91 NR1H2 (0.40) NR1H2NR1H3CHRM4DRD2DRD3

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 8 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
WO-2018068297-A1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β 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 2/4885CHRM4 276/4885
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 2/4885CHRM4 276/4885

“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.