SCHEMBL1381696

SCHEMBL1381696

COC(=O)c1ccc2c(c1)nc(C(=O)NC1CCN(C(C)C)CC1)n2Cc1cccc(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.63
DRD4 P21917 3/20 0.51
MAPT P10636 1/20 0.48
MCHR1 Q99705 1/20 0.46
TP53 P04637 1/20 0.45
CCR3 P51677 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4D Q08499 1/20 0.44
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HCAR3 P49019 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL1383134 0.94 F10 (0.63) F10DRD4MAPTMCHR1CCR3
SCHEMBL3799822 0.85 F10 (0.62) F10DRD4MAPTMCHR1CCR3
SCHEMBL3794052 0.85 F10 (0.66) F10DRD4MAPTMCHR1CCR3
SCHEMBL1379384 0.82 F10 (0.66) F10DRD4MAPTMCHR1CCR3
SCHEMBL1381476 0.82 F10 (0.62) F10DRD4MAPTMCHR1CCR3
SCHEMBL1379754 0.80 F10 (0.60) F10DRD2
SCHEMBL1675042 0.79 F10 (0.87) F10DRD4
SCHEMBL1381065 0.78 F10 (0.61) F10DRD4MCHR1CCR3DRD2
SCHEMBL1675142 0.77 F10 (0.87) F10DRD4MCHR1
SCHEMBL1675257 0.77 F10 (1.00) F10DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4658940-B2 2011-03-23 JP claimed
JP-2006528213-A 2006-12-14 JP claimed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP claimed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US claimed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed
US-7741341-B2 Benzimidazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-22 US disclosed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 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-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors F12, F11, F5 F10 11/4885DRD4 3857/4885MAPT 4847/4885

“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.