SCHEMBL13780946

SCHEMBL13780946

CO[C@H]1CN[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.48
CTSC P53634 1/20 0.44
DPP4 P27487 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
SCHEMBL85048 0.84 F10 (0.48) F10DPP4
SCHEMBL13726768 0.84 F10 (0.58) F10
Hydrochloric Acid SCHEMBL77389 0.83 F10 (0.47) F10DPP4
SCHEMBL5431953 0.77 F10 (0.52) F10
SCHEMBL85844 0.77 F10 (0.47) F10
Hydrochloric Acid SCHEMBL77372 0.77 F10 (0.46) F10
SCHEMBL5438916 0.77 F10 (0.51) F10
SCHEMBL5431950 0.77 F10 (0.51) F10
SCHEMBL5438918 0.77 F10 (0.51) F10
Hydrochloric Acid SCHEMBL77373 0.77 F10 (0.46) F10

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-7557222-B2 1-[(4-Ethynylphenyl)]-2-[(phenyl)]-pyrrolidine-1,2-dicarboxamide derivatives as inhibitors of coagulation factors Xa and VIIa for the treatment of thrombosis MERCK PATENT GMBH (DE) 2009-07-07 US disclosed
US-7557222-B2 1-[(4-Ethynylphenyl)]-2-[(phenyl)]-pyrrolidine-1,2-dicarboxamide derivatives as inhibitors of coagulation factors Xa and VIIa for the treatment of thrombosis MERCK PATENT GMBH (DE) 2009-07-07 US disclosed
US-20070093472-A1 1-[(4-Ethynylphenyl)]-2-[(phenyl)]-pyrrolidine-1,2-dicarboxamide derivatives as inhibitors of coagulation factors xa and viia for the treatment of thromboses MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
US-20070093472-A1 1-[(4-Ethynylphenyl)]-2-[(phenyl)]-pyrrolidine-1,2-dicarboxamide derivatives as inhibitors of coagulation factors xa and viia for the treatment of thromboses MERCK PATENT GMBH (DE) 2007-04-26 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-20070093472-A1 1-[(4-Ethynylphenyl)]-2-[(phenyl)]-pyrrolidine-1,2-dicarboxamide derivatives as inhibitors of coagulation factors xa and viia for the treatment of thromboses F12, F11, F2 F10 10/4885CTSC 641/4885DPP4 1612/4885

“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.