SCHEMBL10170737

SCHEMBL10170737

COc1ccc(C#CC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.73
GPR183 P32249 2/20 0.54
VCP P55072 1/20 0.47
NFE2L2 Q16236 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46

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
SCHEMBL28629549 1.00 APP (0.73) APPGPR183VCPNFE2L2CES2
SCHEMBL10069794 0.92 APP (0.84) APPVCPCES2CES1
SCHEMBL30114875 0.87 APP (0.75) APPGPR183VCPCES2CES1
SCHEMBL27167232 0.86 APP (0.75) APPVCPCES2CES1
SCHEMBL28695966 0.86 APP (0.75) APPVCPCES2CES1
SCHEMBL28972824 0.84 APP (0.73) APPGPR183VCPCES2CES1
SCHEMBL28972914 0.84 APP (0.73) APPVCPCES2CES1
SCHEMBL10069797 0.84 APP (0.72) APPVCPCES2CES1
SCHEMBL10069798 0.84 APP (0.72) APPVCPCES2CES1
SCHEMBL28972867 0.84 APP (0.68) APPGPR183

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
US-9540361-B2 N-substituted azetidine derivatives MERCK SHARP & DOHME B.V. (NL) 2017-01-10 US disclosed
US-9540361-B2 N-substituted azetidine derivatives MERCK SHARP & DOHME B.V. (NL) 2017-01-10 US disclosed
EP-2655367-B1 N-SUBSTITUTED AZETIDINE DERIVATIVES MERCK SHARP & DOHME (NL) 2016-07-06 EP disclosed
US-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2016-05-12 US disclosed
US-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2016-05-12 US disclosed
WO-2012084711-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES MSD OSS B.V. (NL) 2012-06-28 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-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES ESR2, ESR1, GPER1 APP 2073/4885GPR183 706/4885VCP 583/4885

“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.