SCHEMBL20061035

SCHEMBL20061035

COC(=O)c1ccc(OC[C@@H](C)CCC2CCN(C(=O)C(O)(c3cccc(OC)c3)C(F)(F)F)CC2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 1/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
KAT8 Q9H7Z6 2/20 0.35
KAT6A Q92794 1/20 0.35
MGLL Q99685 1/20 0.35
CCR2 P41597 1/20 0.34
KDM2B Q8NHM5 2/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL30451665 1.00 NR1H2 (0.40) NR1H2NR1H3HCRTR1HCRTR2KMT2A
SCHEMBL25547492 1.00 NR1H2 (0.40) NR1H2NR1H3HCRTR1HCRTR2KMT2A
SCHEMBL20061032 0.94 NR1H2 (0.42) NR1H2NR1H3HCRTR1HCRTR2P2RX7
SCHEMBL22311070 0.94 NR1H2 (0.42) NR1H2NR1H3HCRTR1HCRTR2P2RX7
SCHEMBL30451038 0.94 NR1H2 (0.42) NR1H2NR1H3HCRTR1HCRTR2P2RX7
SCHEMBL20068562 0.94 NR1H2 (0.39) NR1H2NR1H3HCRTR1HCRTR2P2RX7
SCHEMBL22311375 0.94 NR1H2 (0.39) NR1H2NR1H3HCRTR1HCRTR2P2RX7
SCHEMBL32685385 0.94 NR1H2 (0.39) NR1H2NR1H3HCRTR1HCRTR2P2RX7
SCHEMBL20068676 0.93 NR1H2 (0.40) NR1H2NR1H3HCRTR1HCRTR2P2RX7
SCHEMBL30451303 0.93 NR1H2 (0.40) NR1H2NR1H3HCRTR1HCRTR2P2RX7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247754-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2020-08-06 US disclosed
WO-2018068295-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO disclosed
WO-2018071317-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS 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 (1 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-20200247754-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885HCRTR1 359/4885

“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.