SCHEMBL6077346

SCHEMBL6077346

O=C(NCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1CCCCN1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.59
F11 P03951 8/20 0.53
CYP3A4 P08684 2/20 0.52
F9 P00740 1/20 0.51
F10 P00742 1/20 0.51
PLAT P00750 1/20 0.51
KLKB1 P03952 1/20 0.51
PRSS1 P07477 1/20 0.51
F7 P08709 1/20 0.51
TBXA2R P21731 1/20 0.51
PRSS3 P35030 1/20 0.51

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
SCHEMBL6077558 0.97 F2 (0.59) F2F11CYP3A4F9F10
SCHEMBL7520043 0.97 F2 (0.59) F2F11CYP3A4F9F10
Hydrochloric Acid SCHEMBL6079137 0.96 F2 (0.59) F2F11CYP3A4F9F10
Hydrochloric Acid SCHEMBL6077587 0.93 F2 (0.63) F2F11CYP3A4F9F10
Hydrochloric Acid SCHEMBL29880369 0.93 F2 (0.63) F2F11CYP3A4F9F10
Hydrochloric Acid SCHEMBL23452298 0.93 F2 (0.63) F2F11CYP3A4F9F10
Hydrochloric Acid SCHEMBL23452302 0.93 F2 (0.63) F2F11CYP3A4F9F10
SCHEMBL6079349 0.88 F2 (0.58) F2F11CYP3A4F9F10
Trifluoroacetic Acid SCHEMBL29881048 0.88 F2 (0.60) F2F11CYP3A4F9F10
SCHEMBL6077679 0.85 F2 (0.47) F2F11CYP3A4F9F10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 US disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 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-20040073025-A1 Thrombin inhibitors F2, F11, F10 F2 1/4885F11 2/4885CYP3A4 2153/4885

“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.