SCHEMBL6477345

SCHEMBL6477345

COc1cc(C(=N)N)ccc1CNC(=O)[C@]1(C2CCCCCCC2)CCCN1C(=O)CNCC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.35
AVPR2 P30518 1/20 0.35
F10 P00742 2/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 3/20 0.33
PRSS1 P07477 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL7049353 1.00 F2 (0.35) F2AVPR2F10F7F3
SCHEMBL6483104 0.90 PDE4A (0.38) F2F10F7SMN1; SMN2EPHX2
SCHEMBL7047781 0.90 PDE4A (0.38) F2F10F7SMN1; SMN2EPHX2
SCHEMBL6476355 0.87 F10 (0.38) F2F10SMN1; SMN2PRSS1KDM4E
SCHEMBL6476879 0.87 F2 (0.40) F2F10F7PRSS1
SCHEMBL6487727 0.86 F2 (0.36) F2F10SMN1; SMN2EPHX2PRSS1
SCHEMBL7045772 0.86 JAK2 (0.40) AVPR2EPHX2KDM4EALDH1A1
SCHEMBL8726018 0.85 F2 (0.33) F2F10EPHX2PRSS1MEN1
SCHEMBL7049587 0.82 F2 (0.33) F2EPHX2MEN1KMT2ALMNA
SCHEMBL8721666 0.81 F2 (0.35) F2F10PRSS1MEN1KMT2A

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 5/4885AVPR2 404/4885F10 23/4885

“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.