SCHEMBL5644157

SCHEMBL5644157

O=C(NCC1CC(=O)N(c2ccc(C3(CN4CCCC4)CC3)cc2)C1)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.51
MAOB P27338 2/20 0.51
CCR3 P51677 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CCR1 P32246 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL5643133 0.91 BCHE (0.43) BCHEMAOBCCR3CCR1SLC6A4
SCHEMBL5640842 0.88 BCHE (0.39) BCHEMAOBCCR3
SCHEMBL5641205 0.87 BCHE (0.40) BCHEMAOBCCR3
SCHEMBL5640496 0.87 F10 (0.42) KMT2APOLBMAPTGAA
SCHEMBL5639804 0.86 LMNA (0.47) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5642077 0.86 F10 (0.45) KMT2AMAPTSMN1; SMN2
SCHEMBL5639345 0.85 SLC6A2 (0.42) SLC6A2SLC6A4
SCHEMBL5643086 0.84 KDM4E (0.48) SLC6A2SLC6A4
SCHEMBL4586513 0.83 BCHE (0.50) BCHEMAOBCCR3HDAC3HDAC4
SCHEMBL5639756 0.82 BCHE (0.50) BCHEMAOBCCR3HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 US 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 498/4885CCR3 3202/4885

“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.