SCHEMBL6484830

SCHEMBL6484830

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.32
HSD11B1 P28845 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
BACE1 P56817 2/20 0.32
PRMT1 Q99873 1/20 0.31
JAK3 P52333 1/20 0.31
UBE2T Q9NPD8 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30

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
SCHEMBL7708511 0.82 BACE1 (0.32) NNMTBACE1
SCHEMBL6475187 0.81 F2 (0.33) HRH3ITGB3ITGA2B
SCHEMBL8933130 0.70
SCHEMBL6477293 0.70 F2 (0.39) ITGB3ITGA2B
SCHEMBL8725900 0.70 F2 (0.31)
SCHEMBL6486871 0.70 F2 (0.41) ITGB3ITGA2B
Acetic Acid SCHEMBL6476505 0.69 NNMT (0.50) NNMTPRMT1
SCHEMBL6476554 0.69 NNMT (0.57) NNMTPRMT1
Hydrochloric Acid SCHEMBL6475891 0.68 NNMT (0.55) NNMTPRMT1
SCHEMBL6484205 0.68 ITGB3 (0.35) ITGB3ITGA2B

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 NNMT 4542/4885HSD11B1 425/4885HRH3 2499/4885

“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.