SCHEMBL5642005

SCHEMBL5642005

O=C1c2c(nnn2-c2cccc(Cl)c2)CCN1c1ccc(C2(CN3CCCC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.46
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
MET P08581 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5646131 0.87 F10 (0.51) F10PDE4APDE4BPDE4CPDE4D
SCHEMBL5644543 0.83 F10 (0.41) F10PDE4APDE4BPDE4CPDE4D
SCHEMBL5642416 0.83 F10 (0.66) F10
SCHEMBL5642520 0.82 F10 (0.38) F10PDE4APDE4BPDE4CPDE4D
SCHEMBL5644388 0.81 F10 (0.40) F10PDE4APDE4BPDE4CPDE4D
SCHEMBL2000445 0.81 LMNA (0.44) F10PDE4APDE4BPDE4CPDE4D
SCHEMBL1997509 0.76 IDO1 (0.43) F10PDE4APDE4BPDE4CPDE4D
SCHEMBL5645577 0.73 F10 (0.74) F10
SCHEMBL8353330 0.73 F10 (0.74) F10
SCHEMBL5644134 0.71 F10 (0.68) F10

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-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US claimed
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US 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-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT F10 14/4885PDE4A 1158/4885PDE4B 1814/4885

“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.