SCHEMBL6476142

SCHEMBL6476142

CCOc1cc(C(=N)N)ccc1CNC(=O)[C@H]1CCCN1C(=O)CNC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.49
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PLAT P00750 1/20 0.40
PRSS1 P07477 1/20 0.40
P2RX7 Q99572 1/20 0.40

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
SCHEMBL6476964 0.92 F2 (0.49) F2TDP1ALDH1A1
SCHEMBL6487722 0.92 F2 (0.50) F2TDP1ALDH1A1P2RX7
SCHEMBL6485834 0.90 F2 (0.48) F2TDP1ALDH1A1
SCHEMBL6483864 0.87 F2 (0.52) F2TDP1ALDH1A1P2RX7
SCHEMBL6475470 0.86 F2 (0.51) F2TDP1ALDH1A1P2RX7
SCHEMBL23752608 0.82 F2 (0.69) F2ALDH1A1
SCHEMBL21067877 0.82 F2 (0.69) F2ALDH1A1
SCHEMBL21067875 0.82 F2 (0.69) F2ALDH1A1
SCHEMBL23752337 0.82 F2 (0.69) F2ALDH1A1
SCHEMBL21067839 0.81 F2 (0.71) F2ALDH1A1

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 4 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

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 5/4885TDP1 683/4885ALDH1A1 925/4885

“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.