SCHEMBL7150818

SCHEMBL7150818

Nc1nccc2cc(CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC3CCCCC3)NC3CCCCC3)ccc12

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F11 P03951 11/20 0.70
F2 P00734 7/20 0.70
F12 P00748 10/20 0.57
F10 P00742 4/20 0.57
PRSS1 P07477 4/20 0.57
PRSS2 P07478 4/20 0.57
F7 P08709 4/20 0.57
PRSS3 P35030 4/20 0.57
F9 P00740 1/20 0.57
KLKB1 P03952 1/20 0.49
KLK1 P06870 1/20 0.49
PRMT3 O60678 1/20 0.49

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
SCHEMBL7145838 1.00 F11 (0.70) F11F2F12F10PRSS1
SCHEMBL7165704 0.91 F11 (0.72) F11F2F12F10PRSS1
SCHEMBL6439064 0.89 F2 (0.64) F11F2F12F10PRSS1
SCHEMBL7957228 0.89 F2 (0.64) F11F2F12F10PRSS1
SCHEMBL7147704 0.89 F11 (0.69) F11F2F12F10PRSS1
SCHEMBL7708367 0.89 F2 (0.64) F11F2F12F10PRSS1
SCHEMBL7147026 0.88 F11 (0.59) F11F2F12F10PRSS1
Hydrochloric Acid SCHEMBL6438384 0.88 F2 (0.61) F11F2F12F10PRSS1
SCHEMBL6435616 0.87 F2 (0.63) F11F2F12F10PRSS1
SCHEMBL6437882 0.86 F2 (0.64) F11F2F12F10PRSS1

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 2 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

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 1/4885F12 21/4885

“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.