SCHEMBL4586428

SCHEMBL4586428

CN(C(=O)CN1CCCC1)c1ccc(N2CC(CNC(=O)c3cccc(Cl)c3)CC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
CACNA1I Q9P0X4 2/20 0.47
LMNA P02545 3/20 0.46
F10 P00742 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
CACNA1H O95180 1/20 0.41
CXCR3 P49682 1/20 0.41
MCHR1 Q99705 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL5641674 0.90 BCHE (0.42) KCNH2CACNA1ILMNAF10MCHR1
SCHEMBL5641371 0.90 L3MBTL1 (0.38) KCNH2CACNA1ILMNAF10SMN1; SMN2
SCHEMBL5642492 0.90 TP53 (0.45) LMNAF10SMN1; SMN2TP53DRD4
SCHEMBL5639534 0.90 BCHE (0.41) KCNH2CACNA1ILMNAF10TP53
SCHEMBL5642367 0.89 HDAC1 (0.39) KCNH2CACNA1ILMNAF10SMN1; SMN2
SCHEMBL4587696 0.89 F10 (0.42) KCNH2CACNA1IF10MEN1KMT2A
SCHEMBL4586933 0.89 HDAC3 (0.37) KCNH2CACNA1ILMNAF10SMN1; SMN2
SCHEMBL5642348 0.87 BCHE (0.49) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5639513 0.85 BCHE (0.37) KCNH2CACNA1ILMNAF10TP53
SCHEMBL4587468 0.84 BCHE (0.40) LMNAMEN1KMT2ATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667647-A4 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
EP-1667647-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 EP disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 US disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 KCNH2 2181/4885CACNA1I 666/4885LMNA 774/4885

“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.