SCHEMBL4587086

SCHEMBL4587086

CN(C(=O)CN1CCCC1)c1ccc(N2CC(CNC(=O)c3ccc(Cl)nc3)CC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.46
DRD4 P21917 2/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
LMNA P02545 3/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.35
ENPP2 Q13822 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 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
SCHEMBL5642707 0.91 KIT (0.39) F10LMNATP53MEN1KMT2A
SCHEMBL4587930 0.89 F10 (0.40) F10LMNAMEN1KMT2AALDH1A1
SCHEMBL5642492 0.89 TP53 (0.45) F10DRD4LMNATP53ALDH1A1
SCHEMBL5639513 0.87 BCHE (0.37) F10LMNATP53ALDH1A1MAPT
SCHEMBL5641674 0.85 BCHE (0.42) F10DRD4DRD2DRD3LMNA
SCHEMBL4586428 0.84 KCNH2 (0.47) F10DRD4DRD2DRD3LMNA
SCHEMBL4588107 0.84 LMNA (0.47) F10LMNATP53KMT2AALDH1A1
SCHEMBL5639534 0.84 BCHE (0.41) F10DRD4DRD2DRD3LMNA
SCHEMBL4585921 0.83 F10 (0.54) F10LMNAMEN1KMT2AALDH1A1
SCHEMBL5642348 0.83 BCHE (0.49) MEN1KMT2AMAPTRAB9A

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 F10 18/4885DRD4 4802/4885DRD2 4648/4885

“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.