SCHEMBL21686302

SCHEMBL21686302

COc1cccc([C@@](O)(C(=O)N(C)C2CC(C3CCN(c4ccc(C(=O)N(C)C)c(Cl)n4)CC3)C2)C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.45
▸ NR1H3 Q13133 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ NPY5R Q15761 1/20 0.32
▸ SMO Q99835 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ WNK1 Q9H4A3 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PDGFRB P09619 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
SCHEMBL21644380 1.00 NR1H2 (0.45) NR1H2NR1H3KDM4ELMNAMAPK1
SCHEMBL20071840 1.00 NR1H2 (0.45) NR1H2NR1H3KDM4ELMNAMAPK1
SCHEMBL20073948 1.00 NR1H2 (0.45) NR1H2NR1H3KDM4ELMNAMAPK1
SCHEMBL21644378 1.00 NR1H2 (0.45) NR1H2NR1H3KDM4ELMNAMAPK1
SCHEMBL20071839 1.00 NR1H2 (0.45) NR1H2NR1H3KDM4ELMNAMAPK1
SCHEMBL20072092 1.00 NR1H2 (0.45) NR1H2NR1H3KDM4ELMNAMAPK1
SCHEMBL21686268 0.93 NR1H2 (0.44) NR1H2NR1H3HCRTR1HCRTR2PDK2
SCHEMBL21644407 0.93 NR1H2 (0.44) NR1H2NR1H3HCRTR1HCRTR2PDK2
SCHEMBL21644408 0.93 NR1H2 (0.44) NR1H2NR1H3HCRTR1HCRTR2PDK2
SCHEMBL20072093 0.93 NR1H2 (0.44) NR1H2NR1H3HCRTR1HCRTR2PDK2

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 2/4885KDM4E 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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