SCHEMBL7895104

SCHEMBL7895104

CCc1cccc(N2CCOCC2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.53
MGLL Q99685 1/20 0.48
F10 P00742 2/20 0.47
PIK3CD O00329 5/20 0.46
PIK3CA P42336 3/20 0.46
PIK3CG P48736 3/20 0.46
ALOX5 P09917 1/20 0.46
PIK3CB P42338 1/20 0.46
PTGS2 P35354 2/20 0.42
NTRK1 P04629 1/20 0.40

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
SCHEMBL671170 0.86 F10 (0.47) MAP4K1F10PIK3CDPIK3CAPIK3CG
SCHEMBL670900 0.86 MAP4K1 (0.50) MAP4K1F10PIK3CDPIK3CAPIK3CG
SCHEMBL8230773 0.86 F10 (0.49) MAP4K1F10PIK3CDPIK3CAPIK3CG
Hydrochloric Acid SCHEMBL3984316 0.84 F10 (0.48) MAP4K1F10PIK3CDPIK3CAPIK3CG
SCHEMBL7906874 0.82 F10 (0.53) F10PTGS2
SCHEMBL10272402 0.81 ALDH1A1 (0.52) MAP4K1MGLLF10PIK3CDPIK3CA
SCHEMBL7904237 0.79 MGLL (0.50) MGLLALOX5
SCHEMBL20124865 0.79 PIK3CD (0.49) MAP4K1F10PIK3CDPIK3CAPIK3CG
SCHEMBL29740650 0.79 PIK3CD (0.49) MAP4K1F10PIK3CDPIK3CAPIK3CG
SCHEMBL17202719 0.78 ALOX5 (0.53) F10PIK3CAALOX5

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-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 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 (2 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT MAP4K1 485/4885MGLL 613/4885F10 636/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 MAP4K1 3233/4885MGLL 1949/4885F10 9/4885

“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.