SCHEMBL6483107

SCHEMBL6483107

N=C(N)c1ccc(CNC(=O)[C@]2(C3CCCCC3)CCCN2C(=O)CN)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 2/20 0.38
TAOK3 Q9H2K8 2/20 0.38
HRH3 Q9Y5N1 2/20 0.37
EPHX2 P34913 1/20 0.34
P2RX7 Q99572 1/20 0.34
F2 P00734 7/20 0.33
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
F7 P08709 2/20 0.33
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33
AKT2 P31751 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
EPHX1 P07099 1/20 0.33
OPRD1 P41143 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
SCHEMBL6486760 0.90 PRSS1 (0.38) TAOK1TAOK3HRH3F2PRSS1
Hydrochloric Acid SCHEMBL6476718 0.82 CFD (0.32) F2F7
SCHEMBL6483869 0.79 F2 (0.35) F2PRSS1PRSS2PRSS3KLKB1
SCHEMBL6475472 0.78 F2 (0.35) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL6487727 0.76 F2 (0.36) EPHX2F2PRSS1
SCHEMBL6476147 0.75 F2 (0.36) F2PRSS1F7
SCHEMBL6476971 0.74 F10 (0.38) F2PRSS1
SCHEMBL6475562 0.73 F2 (0.38) EPHX2P2RX7F2F7
SCHEMBL8933063 0.71 P2RX7 (0.34) EPHX2P2RX7F2AKT2
SCHEMBL7047178 0.71 F2 (0.48) F2PRSS1PRSS2PRSS3F7

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 TAOK1 654/4885TAOK3 957/4885HRH3 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.