SCHEMBL8236176

SCHEMBL8236176

NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1ccccn1)NCC(=O)O

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.84
F10 P00742 11/20 0.84
PRSS1 P07477 3/20 0.59
PRSS2 P07478 3/20 0.59
PRSS3 P35030 3/20 0.59

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
SCHEMBL14944056 1.00 F2 (0.84) F2F10PRSS1PRSS2PRSS3
SCHEMBL8237475 0.92 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL8245210 0.85 F2 (0.82) F2F10PRSS1PRSS2PRSS3
SCHEMBL8242108 0.85 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL6927497 0.80 F2 (0.63) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6924551 0.79 F2 (0.62) F2F10PRSS1PRSS2PRSS3
SCHEMBL6925356 0.78 F2 (0.75) F2F10PRSS1PRSS2PRSS3
SCHEMBL8243313 0.78 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL8246765 0.77 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL17231911 0.77 F2 (1.00) F2PRSS1

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-8124587-B2 2-(aminomethyl)-5-chlorobenzylamide derivatives and their use as inhibitors of the clotting factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-02-28 US disclosed
US-8124587-B2 2-(aminomethyl)-5-chlorobenzylamide derivatives and their use as inhibitors of the clotting factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-02-28 US disclosed
US-20090117185-A1 2-(Aminomethyl)-5-Chlorobenzylamide Derivatives and their use as Inhibitors of the Clotting Factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2009-05-07 US disclosed
US-20090117185-A1 2-(Aminomethyl)-5-Chlorobenzylamide Derivatives and their use as Inhibitors of the Clotting Factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2009-05-07 US disclosed
WO-2007031343-A1 2-(AMINOMETHYL)-5-CHLOROBENZYLAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE CLOTTING FACTOR Xa CURACYTE CHEMISTRY GMBH (DE) 2007-03-22 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-20090117185-A1 2-(Aminomethyl)-5-Chlorobenzylamide Derivatives and their use as Inhibitors of the Clotting Factor Xa F2, F11, TFPI F2 1/4885F10 5/4885PRSS1 138/4885

“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.