SCHEMBL4587789

SCHEMBL4587789

CN(C(=O)CN1CCCC1)c1ccc(N2CC(CNC(=O)c3ccc4nc(N)ccc4c3)CC2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.37
MAOB P27338 2/20 0.37
KDM2B Q8NHM5 2/20 0.34
CCR3 P51677 6/20 0.34
KIT P10721 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
MAP4K4 O95819 1/20 0.33
PLAU P00749 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5641900 0.95 PLAU (0.38) BCHEMAOBKITALDH1A1MAPT
SCHEMBL4587468 0.90 BCHE (0.40) BCHEMAOBKDM2BCCR3ALDH1A1
SCHEMBL4586456 0.89 BCHE (0.40) BCHEMAOBKDM2BCCR3ALDH1A1
SCHEMBL5642348 0.89 BCHE (0.49) BCHEMAOBCCR3MAPT
SCHEMBL5639513 0.88 BCHE (0.37) BCHEMAOBCCR3ALDH1A1MAPT
SCHEMBL4587510 0.88 CCR3 (0.46) BCHEMAOBCCR3
SCHEMBL5641674 0.87 BCHE (0.42) BCHEMAOBCCR3LMNA
SCHEMBL5642707 0.87 KIT (0.39) KITALDH1A1MAPTTSHRLMNA
SCHEMBL4586645 0.87 BCHE (0.38) BCHEMAOBKDM2B
SCHEMBL5639534 0.87 BCHE (0.41) BCHEMAOBCCR3MAPTLMNA

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 498/4885KDM2B 3297/4885

“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.