SCHEMBL3722784

SCHEMBL3722784

CCOP(=O)(Cc1ccc(-c2cccc(C(F)(F)F)c2)cn1)OCC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
GRIN2B Q13224 15/20 0.42
GRIN1 Q05586 8/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL12820612 0.90 GRIN2B (0.44) F2RALDH1A1GAAATMGRIN2B
SCHEMBL751371 0.85 GRM5 (0.41) GRIN2B
SCHEMBL8466706 0.83 GRIN2B (0.39) GRIN2BGRIN1
SCHEMBL3721445 0.82 MAPT (0.45) GRIN2BGRIN1
SCHEMBL9102020 0.82 ACP3 (0.54) F2RALDH1A1GAAATMGRIN2B
SCHEMBL30836028 0.81 KMT2A (0.43) GAAL3MBTL1
SCHEMBL3728507 0.81 NPSR1 (0.38) ALDH1A1
SCHEMBL17021449 0.81 KMT2A (0.43) GAAL3MBTL1
SCHEMBL13840878 0.80 ALDH1A1 (0.52) F2RALDH1A1GAAATMGRIN2B
SCHEMBL1832383 0.74 ACP3 (0.60) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010136137-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
US-20090076088-A1 Thrombin Receptor Antagonists SCHERING CORPORATION 2009-03-19 US disclosed
US-20090069383-A1 Thrombin Receptor Antagonists SCHERING CORPORATION 2009-03-12 US disclosed
US-7488742-B2 Thrombin receptor antagonists SCHERING CORPORATION (US) 2009-02-10 US disclosed
EP-1294714-B1 THROMBIN RECEPTOR ANTAGONISTS SCHERING CORP (US) 2007-08-01 EP disclosed
EP-1764366-A2 Thrombin receptor antagonists SCHERING CORPORATION (US) 2007-03-21 EP disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 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 (3 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-20090076088-A1 Thrombin Receptor Antagonists CNR1, CNR2, TBXA2R F2R 4/4885ALDH1A1 3883/4885GAA 3772/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 F2R 4/4885ALDH1A1 3033/4885GAA 3988/4885
US-20090069383-A1 Thrombin Receptor Antagonists CNR1, CNR2, TBXA2R F2R 4/4885ALDH1A1 3883/4885GAA 3772/4885

“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.