SCHEMBL7121330

SCHEMBL7121330

C[C@@H]1CCC[C@H](C)N1CCCCCN1C(=O)C(c2cccc(O)c2)Sc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.53
PRSS1 P07477 7/20 0.51
F2 P00734 6/20 0.51
PLG P00747 4/20 0.51
PROC P04070 1/20 0.51
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL7123062 0.89 F10 (0.53) F10PRSS1F2PLGPROC
SCHEMBL7119775 0.87 F10 (0.58) F10PRSS1F2PLGPROC
SCHEMBL7117277 0.87 F10 (0.68) F10PRSS1F2PLGPROC
SCHEMBL7115263 0.87 F10 (0.52) F10PRSS1F2PLGPROC
SCHEMBL7121889 0.87 F10 (0.52) F10PRSS1F2PLGPROC
SCHEMBL7115305 0.87 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL7123079 0.87 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL7122762 0.87 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL7123129 0.87 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL7123060 0.87 F10 (0.69) F10PRSS1F2PLGPROC

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
US-20030187256-A1 Benoxazinones/benzothiazinones as serine protease inhibitors BERRYMAN KENT ALAN (US) 2003-10-02 US claimed
US-20030187256-A1 Benoxazinones/benzothiazinones as serine protease inhibitors BERRYMAN KENT ALAN (US) 2003-10-02 US disclosed
US-6509335-B1 This invention discloses benzoxazinone and benzothiazinone compounds which display inhibitory effects on serine proteases such as factor Xa, thrombin, and/or factor VIIa. The invention also discloses pharmaceutically acceptable salts of WARNER-LAMBERT COMPANY 2003-01-21 US disclosed
EP-1068191-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP disclosed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 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-20030187256-A1 Benoxazinones/benzothiazinones as serine protease inhibitors HABP2, SPINT2, SERPINB1 F10 24/4885PRSS1 8/4885F2 25/4885

“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.