SCHEMBL6077702

SCHEMBL6077702

O=C(NCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1CCCCN1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.65
CYP3A4 P08684 4/20 0.57
PRSS1 P07477 3/20 0.53
F10 P00742 2/20 0.53
F7 P08709 2/20 0.53
PRSS3 P35030 2/20 0.53
F9 P00740 1/20 0.53
PLAT P00750 1/20 0.53
F11 P03951 1/20 0.53
KLKB1 P03952 1/20 0.53
TBXA2R P21731 1/20 0.53
KCNH2 Q12809 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
F12 P00748 1/20 0.48
PRSS2 P07478 1/20 0.48

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
SCHEMBL23452248 0.93 F2 (0.60) F2CYP3A4PRSS1F10F7
SCHEMBL6077357 0.93 F2 (0.60) F2CYP3A4PRSS1F10F7
SCHEMBL6078625 0.85 F2 (0.60) F2CYP3A4PRSS1F10F7
SCHEMBL6079393 0.85 CYP3A4 (0.72) F2CYP3A4PRSS1F10F7
SCHEMBL6079349 0.85 F2 (0.58) F2CYP3A4PRSS1F10F7
SCHEMBL6077964 0.84 ALDH1A1 (0.62) F2CYP3A4PRSS1F10F7
SCHEMBL6078027 0.84 F2 (0.59) F2CYP3A4PRSS1F10F7
SCHEMBL6078531 0.84 F2 (0.59) F2CYP3A4PRSS1F10F7
SCHEMBL6076705 0.84 CYP3A4 (0.70) F2CYP3A4PRSS1F10F7
SCHEMBL23478900 0.84 CYP3A4 (0.59) F2CYP3A4PRSS1F10F7

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 1/4885CYP3A4 2153/4885PRSS1 106/4885

“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.