SCHEMBL4587510

SCHEMBL4587510

CN(C(=O)CN1CCCC1)c1ccc(N2CC(CNC(=O)c3ccc4ncccc4c3)CC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.46
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR3A P46098 1/20 0.40
PLK1 P53350 1/20 0.39
PLD2 O14939 1/20 0.39
PLD1 Q13393 1/20 0.39
BCHE P06276 3/20 0.38
MAOB P27338 1/20 0.38
ACKR3 P25106 2/20 0.38
TAOK1 Q7L7X3 1/20 0.37

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) CCR3HTR1ABCHEMAOB
SCHEMBL4587789 0.88 BCHE (0.37) CCR3BCHEMAOB
SCHEMBL4586645 0.86 BCHE (0.38) BCHEMAOB
SCHEMBL4587468 0.86 BCHE (0.40) CCR3BCHEMAOB
SCHEMBL5640611 0.85 TAS1R3 (0.40)
SCHEMBL5640063 0.85 CCR3 (0.44) CCR3
SCHEMBL5641900 0.85 PLAU (0.38) BCHEMAOB
SCHEMBL5641674 0.85 BCHE (0.42) CCR3HTR1AADRA1ADRD3KCNH2
SCHEMBL4586456 0.85 BCHE (0.40) CCR3BCHEMAOB
SCHEMBL5639925 0.85 MLLT1 (0.38) BCHE

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 CCR3 3202/4885HTR1A 3352/4885ADRA2A 4739/4885

“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.