SCHEMBL4586645

SCHEMBL4586645

CN(C(=O)CN1CCCC1)c1ccc(N2CC(CNC(=O)c3ccc4cnccc4c3)CC2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.38
MAOB P27338 2/20 0.38
PRMT3 O60678 7/20 0.37
CHRM2 P08172 1/20 0.35
PIM1 P11309 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A2 P23975 1/20 0.35
MLLT3 P42568 1/20 0.35
MLLT1 Q03111 1/20 0.35
TRIB2 Q92519 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
SMYD3 Q9H7B4 2/20 0.35
KDM2B Q8NHM5 1/20 0.35
AKT1 P31749 2/20 0.35
CDK2 P24941 1/20 0.34
NAMPT P43490 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
SCHEMBL5642348 0.90 BCHE (0.49) BCHEMAOBSLC6A2HDAC3HDAC1
SCHEMBL4587468 0.89 BCHE (0.40) BCHEMAOBHRH3SMYD3KDM2B
SCHEMBL5641674 0.88 BCHE (0.42) BCHEMAOB
SCHEMBL4587789 0.87 BCHE (0.37) BCHEMAOBKDM2B
SCHEMBL4586456 0.87 BCHE (0.40) BCHEMAOBHDAC3HDAC1HDAC2
SCHEMBL4587510 0.86 CCR3 (0.46) BCHEMAOB
SCHEMBL5639534 0.86 BCHE (0.41) BCHEMAOB
SCHEMBL5641900 0.85 PLAU (0.38) BCHEMAOB
SCHEMBL5639513 0.85 BCHE (0.37) BCHEMAOB
SCHEMBL5640840 0.84 ALDH1A1 (0.38) BCHEMAOBHDAC3HDAC1HDAC2

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 BCHE 170/4885MAOB 498/4885PRMT3 2761/4885

“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.