SCHEMBL20071869

SCHEMBL20071869

COc1cccc(C(O)(C(=O)N(C)CCCC2CCN(c3ccc(C(=O)N(C)CCO)c(Cl)n3)CC2)C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
FFAR1 O14842 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
DRD4 P21917 1/20 0.33
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
CCR1 P32246 1/20 0.31
CHRM4 P08173 1/20 0.31
FAAH O00519 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20074059 1.00 PIK3CA (0.35) PIK3CAPIK3CBNR1H2NR1H3FFAR1
SCHEMBL23838142 0.94 POLB (0.33) PIK3CAPIK3CBNR1H2NR1H3FFAR1
SCHEMBL21644153 0.94 NR1H2 (0.39) NR1H2NR1H3FFAR1NPC1RAB9A
SCHEMBL20072012 0.94 NR1H2 (0.39) NR1H2NR1H3FFAR1NPC1RAB9A
SCHEMBL21644306 0.94 NR1H2 (0.39) NR1H2NR1H3FFAR1NPC1RAB9A
SCHEMBL21644332 0.92 TAF1 (0.35) NR1H2NR1H3FFAR1NPC1RAB9A
SCHEMBL20072116 0.92 TAF1 (0.35) NR1H2NR1H3FFAR1NPC1RAB9A
SCHEMBL21644310 0.92 ACHE (0.38) NR1H2NR1H3FFAR1ACHEFFAR4
SCHEMBL21644312 0.92 ACHE (0.38) NR1H2NR1H3FFAR1ACHEFFAR4
SCHEMBL21644220 0.91 FFAR1 (0.34) PIK3CAPIK3CBNR1H2NR1H3FFAR1

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 PIK3CA 1302/4885PIK3CB 1867/4885NR1H2 1/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 PIK3CA 1302/4885PIK3CB 1867/4885NR1H2 1/4885

“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.