SCHEMBL13232199

SCHEMBL13232199

CCN1CCN=C1c1ccc(N2C[C@H](CNC(=O)c3ccc(Br)s3)OC2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.64
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ABCB11 O95342 1/20 0.51
F2 P00734 1/20 0.51
ST14 Q9Y5Y6 1/20 0.51

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
SCHEMBL13232192 0.90 F10 (0.67) F10ABCB11F2ST14
SCHEMBL13232196 0.90 F10 (0.66) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13232237 0.84 F10 (0.70) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13232242 0.81 F10 (0.68) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13232241 0.81 F10 (0.63) F10ABCB11F2ST14
SCHEMBL13232238 0.81 F10 (0.63) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13232202 0.80 F10 (0.64) F10ABCB11F2ST14
SCHEMBL13232191 0.80 F10 (0.69) F10ABCB11F2ST14
SCHEMBL13232227 0.79 F10 (0.68) F10ABCB11F2ST14
SCHEMBL4761184 0.79 F10 (0.64) F10ABCB11F2ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288423-B2 FXa inhibitors with cyclic amidines as P4 subunit, processes for their preparations, and pharmaceutical compositions and derivatives thereof LEGOCHEM BIOSCIENCE LTD. (KR) 2012-10-16 US disclosed
US-8288423-B2 FXa inhibitors with cyclic amidines as P4 subunit, processes for their preparations, and pharmaceutical compositions and derivatives thereof LEGOCHEM BIOSCIENCE LTD. (KR) 2012-10-16 US disclosed
US-20100184781-A1 FXA INHIBITORS WITH CYCLIC AMIDINES AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2010-07-22 US disclosed
US-20100184781-A1 FXA INHIBITORS WITH CYCLIC AMIDINES AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2010-07-22 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-20100184781-A1 FXA INHIBITORS WITH CYCLIC AMIDINES AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF F12, F2, TFPI F10 4/4885CYP1A2 287/4885CYP3A4 109/4885

“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.