SCHEMBL6077679

SCHEMBL6077679

O=C(NCc1cc(F)ccc1-n1cnnn1)[C@@H]1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.47
KLKB1 P03952 3/20 0.47
PRSS1 P07477 2/20 0.47
F9 P00740 1/20 0.47
F10 P00742 1/20 0.47
PLAT P00750 1/20 0.47
F11 P03951 1/20 0.47
F7 P08709 1/20 0.47
TBXA2R P21731 1/20 0.47
PRSS3 P35030 1/20 0.47
HTR2C P28335 6/20 0.46
HTR2B P41595 4/20 0.46
GID4 Q8IVV7 1/20 0.45
HTR2A P28223 3/20 0.44
CYP3A4 P08684 2/20 0.43
KCNH2 Q12809 2/20 0.42
KDM4E B2RXH2 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
SCHEMBL7520043 0.88 F2 (0.59) F2KLKB1PRSS1F9F10
SCHEMBL6077558 0.88 F2 (0.59) F2KLKB1PRSS1F9F10
SCHEMBL6079149 0.88 F2 (0.46) F2KLKB1PRSS1F9F10
Hydrochloric Acid SCHEMBL6079137 0.87 F2 (0.59) F2KLKB1PRSS1F9F10
Hydrochloric Acid SCHEMBL6077987 0.87 F2 (0.45) F2KLKB1PRSS1F9F10
SCHEMBL6079354 0.86 F2 (0.48) F2PRSS1F10PLATF11
SCHEMBL6077346 0.85 F2 (0.59) F2KLKB1PRSS1F9F10
Hydrochloric Acid SCHEMBL6078932 0.85 F2 (0.47) F2F11HTR2CHTR2BGID4
SCHEMBL6077591 0.84 HTR2C (0.46) F2HTR2CHTR2BGID4HTR2A
Hydrochloric Acid SCHEMBL23452302 0.82 F2 (0.63) F2KLKB1PRSS1F9F10

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 1/4885KLKB1 434/4885PRSS1 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.