SCHEMBL3754447

SCHEMBL3754447

Nc1nccc2cc(CNC(=O)[C@@H]3CCCN3C(=O)[C@H](NCC(=O)O)C(c3ccccc3)c3ccccc3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F11 P03951 15/20 0.60
F2 P00734 14/20 0.60
F7 P08709 9/20 0.49
F10 P00742 8/20 0.49
PRSS1 P07477 8/20 0.49
PRSS2 P07478 8/20 0.49
PRSS3 P35030 8/20 0.49
F12 P00748 3/20 0.49
F9 P00740 1/20 0.49
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
F3 P13726 1/20 0.42

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
SCHEMBL27903245 1.00 F11 (0.60) F11F2F7F10PRSS1
Hydrochloric Acid SCHEMBL27754452 0.99 F11 (0.59) F11F2F7F10PRSS1
Hydrochloric Acid SCHEMBL3761016 0.99 F11 (0.59) F11F2F7F10PRSS1
SCHEMBL6436777 0.91 F11 (0.61) F11F2F7F10PRSS1
SCHEMBL13054338 0.90 F11 (0.56) F11F2F7F10PRSS1
SCHEMBL27775086 0.90 F11 (0.56) F11F2F7F10PRSS1
SCHEMBL3759667 0.90 F11 (0.56) F11F2F7F10PRSS1
Hydrochloric Acid SCHEMBL3765641 0.90 F11 (0.56) F11F2F7F10PRSS1
Hydrochloric Acid SCHEMBL3763597 0.89 F11 (0.55) F11F2F7F10PRSS1
SCHEMBL28782638 0.88 F7 (0.47) F11F2F7F10KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299091-B2 Aminoisoquinoline thrombin inhibitor with improved bioavailability MSD OSS B.V. (NL) 2012-10-30 US claimed
US-20100305153-A1 AMINOISOQUINOLINE THROMBIN INHIBITOR WITH IMPROVED BIOAVAILABILITY N.V. ORGANON 2010-12-02 US claimed
EP-2054402-A1 AN AMINOISOQUINOLINE THROMBIN INHIBITOR WITH IMPROVED BIOAVAILABILITY N.V. Organon (NL) 2009-05-06 EP claimed
WO-2008017650-A1 AN AMINOISOQUINOLINE THROMBIN INHIBITOR WITH IMPROVED BIOAVAILABILITY N.V. ORGANON (NL) 2008-02-14 WO claimed
US-8299091-B2 Aminoisoquinoline thrombin inhibitor with improved bioavailability MSD OSS B.V. (NL) 2012-10-30 US disclosed
US-8299091-B2 Aminoisoquinoline thrombin inhibitor with improved bioavailability MSD OSS B.V. (NL) 2012-10-30 US disclosed
US-20100305153-A1 AMINOISOQUINOLINE THROMBIN INHIBITOR WITH IMPROVED BIOAVAILABILITY N.V. ORGANON 2010-12-02 US disclosed
US-20100305153-A1 AMINOISOQUINOLINE THROMBIN INHIBITOR WITH IMPROVED BIOAVAILABILITY N.V. ORGANON 2010-12-02 US disclosed
EP-2054402-A1 AN AMINOISOQUINOLINE THROMBIN INHIBITOR WITH IMPROVED BIOAVAILABILITY N.V. Organon (NL) 2009-05-06 EP disclosed
WO-2008017650-A1 AN AMINOISOQUINOLINE THROMBIN INHIBITOR WITH IMPROVED BIOAVAILABILITY N.V. ORGANON (NL) 2008-02-14 WO disclosed
WO-2008017650-A1 AN AMINOISOQUINOLINE THROMBIN INHIBITOR WITH IMPROVED BIOAVAILABILITY N.V. ORGANON (NL) 2008-02-14 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-20100305153-A1 AMINOISOQUINOLINE THROMBIN INHIBITOR WITH IMPROVED BIOAVAILABILITY TFPI, TFPI2, PREP F11 152/4885F2 7/4885F7 564/4885

“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.