SCHEMBL16675745

SCHEMBL16675745

OCc1cccc(-c2ccc(N3CCOCC3)nc2)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.68
AOC3 Q16853 1/20 0.56
MTOR P42345 6/20 0.55
LRRK2 Q5S007 1/20 0.53
PIK3CA P42336 7/20 0.53
PIK3CD O00329 2/20 0.52
PIK3CG P48736 1/20 0.52
ERN1 O75460 1/20 0.50
ATR Q13535 1/20 0.48
ATRIP Q8WXE1 1/20 0.48

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
SCHEMBL14992908 0.85 AOC3 (0.62) CNR2AOC3MTORLRRK2PIK3CA
SCHEMBL13136641 0.84 CNR2 (0.71) CNR2AOC3PIK3CAPIK3CDPIK3CG
SCHEMBL12812386 0.83 PIK3CA (0.52) CNR2MTORLRRK2PIK3CAPIK3CD
SCHEMBL12523755 0.82 AOC3 (0.59) CNR2AOC3MTORLRRK2PIK3CA
SCHEMBL17221698 0.80 CYP11B1 (0.57) CNR2AOC3
SCHEMBL30827430 0.80 CYP11B1 (0.57) CNR2AOC3
SCHEMBL857231 0.80 CYP11B1 (0.57) CNR2AOC3
SCHEMBL16773016 0.80 CNR2 (0.69) CNR2ATR
SCHEMBL16675789 0.79 SMN1; SMN2 (0.54) CNR2AOC3MTORATRATRIP
SCHEMBL29551393 0.79 AOC3 (0.56) CNR2AOC3ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855489-B1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2017-01-04 EP disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 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 (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-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 CNR2 776/4885AOC3 2306/4885MTOR 2816/4885

“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.