SCHEMBL6484032

SCHEMBL6484032

N=C(N)c1ccc(C(N)=O)cn1.N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C1CC2CCC1C2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.38
TMPRSS15 P98073 1/20 0.38
DGAT1 O75907 8/20 0.36
F2 P00734 1/20 0.35
CA2 P00918 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LTA4H P09960 2/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL8723763 0.81 PRSS1 (0.42) PRSS1TMPRSS15DGAT1F2CA2
SCHEMBL6484948 0.73 DPP4 (0.40) DGAT1CA2ALDH1A1
SCHEMBL8933085 0.73 HSD11B1 (0.40) PRSS1TMPRSS15DGAT1F2ALDH1A1
SCHEMBL6476434 0.72 OPRM1 (0.46) PRSS1TMPRSS15DGAT1F2ALDH1A1
SCHEMBL7702747 0.70 DGAT1 (0.39) PRSS1TMPRSS15DGAT1F2CA2
Hydrochloric Acid SCHEMBL8933165 0.70 F2 (0.47) PRSS1F2
SCHEMBL8722619 0.67 F2 (0.40) DGAT1F2
SCHEMBL8725887 0.67 F2 (0.40) PRSS1F2
SCHEMBL7705659 0.66 F2 (0.33) PRSS1TMPRSS15DGAT1F2ALDH1A1
SCHEMBL6476554 0.66 NNMT (0.57)

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 7 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-A9 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS 1997-06-12 WO 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 PRSS1 53/4885TMPRSS15 255/4885DGAT1 898/4885

“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.