SCHEMBL1622900

SCHEMBL1622900

CC1CC(c2ccccc2)CCC1NC(=O)CNC(=O)c1cccc(C(=N)N)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.53
PRSS1 P07477 2/20 0.53
CCR2 P41597 13/20 0.51
KCNH2 Q12809 4/20 0.47
CYP2D6 P10635 3/20 0.42
TPSAB1 Q15661 1/20 0.42
F2 P00734 1/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL1624288 0.87 CCR2 (0.43) F10PRSS1CCR2KCNH2RAB9A
SCHEMBL1625055 0.84 CCR2 (0.60) F10PRSS1CCR2KCNH2RAB9A
SCHEMBL1624323 0.81 F10 (0.77) F10PRSS1CCR2KCNH2TPSAB1
Trifluoroacetic Acid SCHEMBL5210013 0.72 CCR2 (0.52) CCR2KCNH2CYP2D6
SCHEMBL6213533 0.71 CCR2 (0.46) F10CCR2KCNH2RAB9A
SCHEMBL10131629 0.68 CCR2 (0.75) CCR2KCNH2
SCHEMBL10131255 0.68 CCR2 (0.75) CCR2KCNH2
SCHEMBL1624221 0.67 F10 (0.48) F10PRSS1CCR2KCNH2CYP2D6
SCHEMBL1623787 0.66 F10 (0.52) F10PRSS1CCR2KCNH2TPSAB1
SCHEMBL1624623 0.65 F10 (0.54) F10PRSS1TPSAB1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928137-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2011-04-19 US disclosed
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN W 2007-07-05 US disclosed
US-7220781-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2007-05-22 US disclosed
EP-1009758-B1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2005-06-01 EP disclosed
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
EP-1009758-A1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-21 EP disclosed
WO-1999011658-A1 META-BENZAMIDINE DERIVATIVES AS SERIN PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 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 (2 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-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN F10 292/4885PRSS1 4/4885CCR2 3964/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 F10 378/4885PRSS1 3/4885CCR2 3949/4885

“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.