SCHEMBL6476532

SCHEMBL6476532

COc1cc(C(=N)N)ccc1CNC(=O)C1CCCCN1C(=O)C(C)NC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.49
FKBP5 Q13451 4/20 0.47
FKBP1A P62942 3/20 0.47
F12 P00748 5/20 0.44
F10 P00742 3/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
F7 P08709 2/20 0.44
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6477356 0.87 F2 (0.51) F2F10PRSS1PRSS2PRSS3
Acetic Acid SCHEMBL6484482 0.85 F2 (0.57) F2FKBP5FKBP1AF12F10
SCHEMBL6485834 0.85 F2 (0.48) F2FKBP5FKBP1AALDH1A1TDP1
SCHEMBL6477281 0.84 F2 (0.51) F2FKBP5FKBP1AF12F10
SCHEMBL7144645 0.83 F2 (0.70) F2F10ALDH1A1
SCHEMBL7363164 0.83 F2 (0.70) F2F10ALDH1A1
SCHEMBL6487722 0.83 F2 (0.50) F2ALDH1A1TDP1
Hydrochloric Acid SCHEMBL7148138 0.83 F2 (0.69) F2F10ALDH1A1
SCHEMBL6475503 0.80 F2 (0.50) F2F12F10PRSS1PRSS2
SCHEMBL6477266 0.80 F2 (0.53) F2FKBP5FKBP1AF12F10

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 5/4885FKBP5 4014/4885FKBP1A 2389/4885

“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.