SCHEMBL20072215

SCHEMBL20072215

COc1cccc(C(O)(C(=O)N(C)CC2CC(C3CCN(c4ccc(C(=O)N(C)C)c(Cl)n4)CC3)C2)C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.43
▸ NR1H3 Q13133 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CCR1 P32246 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ FFAR1 O14842 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ RIPK1 Q13546 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ MEN1 O00255 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
SCHEMBL21644319 1.00 NR1H2 (0.43) NR1H2NR1H3KDM4ELMNAMAPK1
SCHEMBL20072138 0.91 NR1H2 (0.41) NR1H2NR1H3KDM4ELMNAMAPK1
SCHEMBL21686407 0.91 NR1H2 (0.41) NR1H2NR1H3KDM4ELMNAMAPK1
SCHEMBL20072092 0.89 NR1H2 (0.45) NR1H2NR1H3KDM4ELMNAMAPK1
SCHEMBL20071839 0.89 NR1H2 (0.45) NR1H2NR1H3KDM4ELMNAMAPK1
SCHEMBL21644380 0.89 NR1H2 (0.45) NR1H2NR1H3KDM4ELMNAMAPK1
SCHEMBL21644378 0.89 NR1H2 (0.45) NR1H2NR1H3KDM4ELMNAMAPK1
SCHEMBL20073948 0.89 NR1H2 (0.45) NR1H2NR1H3KDM4ELMNAMAPK1
SCHEMBL21686302 0.89 NR1H2 (0.45) NR1H2NR1H3KDM4ELMNAMAPK1
SCHEMBL20071840 0.89 NR1H2 (0.45) NR1H2NR1H3KDM4ELMNAMAPK1

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 6 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
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 2/4885KDM4E 2692/4885
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 2/4885KDM4E 2692/4885

“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.

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