SCHEMBL7145133

SCHEMBL7145133

O=C(O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 12/20 0.60
▸ LTA4H P09960 5/20 0.59
▸ ACE2 Q9BYF1 5/20 0.57

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
SCHEMBL6979678 0.84 LTA4H (0.63) ACELTA4HACE2
SCHEMBL6973372 0.84 LTA4H (0.63) ACELTA4HACE2
SCHEMBL6979674 0.84 LTA4H (0.63) ACELTA4HACE2
SCHEMBL6975531 0.83 LTA4H (0.64) ACELTA4HACE2
SCHEMBL6442125 0.82 ACE (0.74) ACELTA4HACE2
SCHEMBL6442128 0.82 ACE (0.74) ACELTA4HACE2
SCHEMBL2881573 0.82 MEN1 (0.59) ACELTA4HACE2
SCHEMBL28255253 0.82 ACE (0.63) ACELTA4HACE2
SCHEMBL28255251 0.82 ACE (0.63) ACELTA4HACE2
SCHEMBL8655052 0.81 LTA4H (0.59) ACELTA4HACE2

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 ACE 79/4885LTA4H 853/4885ACE2 86/4885

“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.

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