SCHEMBL16637672

SCHEMBL16637672

CC(C)(O)CCOc1ncc(Br)cc1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
CNR2 P34972 1/20 0.33
PIM1 P11309 1/20 0.32
AAK1 Q2M2I8 2/20 0.32
PTGS2 P35354 3/20 0.32
SSTR4 P31391 2/20 0.32
PTGS1 P23219 1/20 0.32
GSK3B P49841 1/20 0.31
DGAT1 O75907 2/20 0.31
VDR P11473 1/20 0.30
SGK1 O00141 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
SCHEMBL31255306 0.79 SYK (0.36) CNR2
SCHEMBL26011871 0.79 CNR2 (0.46) MAPTCNR2
SCHEMBL15299318 0.77 MAPT (0.49) MAPTPIM1AAK1VDR
SCHEMBL31087476 0.76 HPGD (0.38) CNR2
SCHEMBL26603008 0.76 HPGD (0.38) CNR2
SCHEMBL8112783 0.76 CNR2 (0.41) MAPTCNR2
SCHEMBL19783022 0.75 EDNRB (0.33) PIM1VDR
SCHEMBL20209642 0.73 SSTR4 (0.36) MAPTAAK1PTGS2SSTR4DGAT1
SCHEMBL12003906 0.73 GAA (0.33) VDR
SCHEMBL20911814 0.73 AAK1 (0.46) AAK1VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055288-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
EP-3055288-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
EP-3055288-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2016-08-17 EP disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
WO-2015051725-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051496-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051725-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 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-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR55 MAPT 3806/4885CNR2 191/4885PIM1 4316/4885

“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.