SCHEMBL5639807

SCHEMBL5639807

CN(C)Cc1ccccc1-c1ccc(N2CC(COS(C)(=O)=O)CC2=O)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.40
F2 P00734 1/20 0.38
GRM2 Q14416 1/20 0.37
SLC6A2 P23975 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
P2RY1 P47900 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL2684743 0.78 ADORA2B (0.40)
SCHEMBL5641157 0.74 F10 (0.51) F10
SCHEMBL6859804 0.67 GAA (0.43) F10F2
SCHEMBL6048497 0.66 SLC6A4 (0.54) F10F2SLC6A2CYP1A2CYP3A4
SCHEMBL3161247 0.65 CYP1A2 (0.47) SLC6A2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16468022 0.65 RXFP1 (0.42)
Hydrochloric Acid SCHEMBL6048489 0.65 SLC6A4 (0.52) F10F2SLC6A2CYP1A2CYP3A4
SCHEMBL5273330 0.64 GRM2 (0.48) F10F2GRM2SLC6A2
SCHEMBL3465931 0.64 CYP2D6 (0.48) F10F2SLC6A2CYP1A2CYP3A4
SCHEMBL4407432 0.64 ADORA2B (0.48) GRM2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 F10 18/4885F2 1/4885GRM2 4632/4885

“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.