SCHEMBL5640108

SCHEMBL5640108

CN(C)CC1(c2ccc(N3CC(CNC(=O)c4nc5nc(Cl)ccc5s4)CC3=O)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.34
FPR2 P25090 1/20 0.33
CNR1 P21554 1/20 0.33
ENPP2 Q13822 5/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5640312 0.87 CNR1 (0.38) F10FPR2CNR1ENPP2MAOB
SCHEMBL5640860 0.85 F10 (0.35) F10FPR2ENPP2MEN1MAPT
SCHEMBL5643585 0.84 F10 (0.36) F10FPR2ENPP2LMNAPOLB
SCHEMBL5640071 0.81 F10 (0.41) F10ENPP2LMNAMEN1MAPT
SCHEMBL4588148 0.81 F10 (0.51) F10
SCHEMBL5640819 0.80 F10 (0.41) F10ENPP2LMNAPOLB
SCHEMBL5642046 0.79 F10 (0.46) F10
SCHEMBL5642913 0.79 PYGL (0.34) F10FPR2POLB
SCHEMBL5639833 0.79 OPRM1 (0.42) F10
SCHEMBL5638279 0.77 LMNA (0.39) F10MAOBLMNAMAPTPOLB

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 18/4885FPR2 3505/4885CNR1 2663/4885

“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.