SCHEMBL6483869

SCHEMBL6483869

N=C(N)c1ccc(CNC(=O)[C@]2(C3CCCCC3)CCCN2C(=O)CN)c(O)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.35
F10 P00742 1/20 0.33
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
KLKB1 P03952 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33

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
SCHEMBL6475472 0.90 F2 (0.35) F2ITGB3ITGA2BPRSS1PRSS2
SCHEMBL6477095 0.89 F2 (0.38) F2F10ITGB3ITGA2B
SCHEMBL6487727 0.88 F2 (0.36) F2F10PRSS1
SCHEMBL8933084 0.87 F2 (0.33) F2F10
SCHEMBL6476147 0.87 F2 (0.36) F2F10PRSS1
SCHEMBL6476971 0.86 F10 (0.38) F2F10ITGB3ITGA2BPRSS1
SCHEMBL6486760 0.83 PRSS1 (0.38) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL6477416 0.83 F2 (0.39) F2F10ITGB3ITGA2BPRSS1
SCHEMBL8723707 0.82 F2 (0.35) F2F10ITGB3ITGA2BPRSS1
SCHEMBL6487471 0.81 F2 (0.35) F2F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 F2 5/4885F10 23/4885ITGB3 1031/4885

“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.