SCHEMBL7147704

SCHEMBL7147704

Nc1nccc2cc(CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)NC3CCCCC3)ccc12

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F11 P03951 11/20 0.69
F2 P00734 7/20 0.69
F7 P08709 5/20 0.56
F10 P00742 4/20 0.56
PRSS1 P07477 4/20 0.56
PRSS2 P07478 4/20 0.56
PRSS3 P35030 4/20 0.56
F12 P00748 4/20 0.56
F9 P00740 1/20 0.56
PRMT3 O60678 1/20 0.48
KLKB1 P03952 6/20 0.47
KLK1 P06870 6/20 0.47
F3 P13726 1/20 0.45

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
SCHEMBL7150818 0.89 F11 (0.70) F11F2F7F10PRSS1
SCHEMBL7145838 0.89 F11 (0.70) F11F2F7F10PRSS1
SCHEMBL3767038 0.89 F11 (0.65) F11F2F7F10PRSS1
SCHEMBL6438340 0.89 F11 (0.65) F11F2F7F10PRSS1
SCHEMBL7702655 0.87 F11 (0.65) F11F2F7F10PRSS1
Trifluoroacetic Acid SCHEMBL6437278 0.87 F11 (0.68) F11F2F7F10PRSS1
Trifluoroacetic Acid SCHEMBL7711238 0.87 F11 (0.68) F11F2F7F10PRSS1
SCHEMBL6438232 0.86 F11 (0.61) F11F2F7F10PRSS1
SCHEMBL6438235 0.86 F11 (0.61) F11F2F7F10PRSS1
SCHEMBL6436612 0.85 F11 (0.59) F11F2F7F10PRSS1

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-6642253-B2 Thrombin inhibitors comprising an aminoisoquinoline group AKZO NOBEL N. V. (NL) 2003-11-04 US disclosed
US-20030166579-A1 THROMBIN INHIBITORS COMPRISING AN AMINOISOQUINOLINE GROUP N.V. ORGANON (NL) 2003-09-04 US disclosed
WO-2002004423-A9 THROMBIN INHIBITORS COMPRISING AN AMINOISOQUINOLINE GROUP AKZO NOBEL NV (NL) 2003-05-15 WO disclosed
EP-1303491-A1 THROMBIN INHIBITORS COMPRISING AN AMINOISOQUINOLINE GROUP Akzo Nobel N.V. (NL) 2003-04-23 EP disclosed
WO-2002004423-A1 THROMBIN INHIBITORS COMPRISING AN AMINOISOQUINOLINE GROUP AKZO NOBEL N.V. (NL) 2002-01-17 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-20030166579-A1 THROMBIN INHIBITORS COMPRISING AN AMINOISOQUINOLINE GROUP F2, TFPI, SERPINC1 F11 15/4885F2 1/4885F7 36/4885

“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.