SCHEMBL4585968

SCHEMBL4585968

O=C(NCC1CC(=O)N(c2ccc(N3CCCCC3=O)cc2)C1)c1ccc(-c2ccccn2)s1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.52
HPGDS O60760 1/20 0.45
CHRNA7 P36544 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
PRMT5 O14744 1/20 0.41
ACKR3 P25106 1/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL5642951 0.88 F10 (0.55) F10CHRNA7PRMT5ACKR3F2
SCHEMBL5638163 0.87 F10 (0.51) F10ACKR3F2
SCHEMBL4593972 0.85 F10 (0.53) F10F2
SCHEMBL5638156 0.85 HDAC3 (0.44) F10CHRNA7HDAC3HDAC4HDAC1
SCHEMBL5640463 0.84 CHRNA7 (0.40) F10CHRNA7HDAC3HDAC4HDAC1
SCHEMBL5640687 0.84 F10 (0.61) F10F2
SCHEMBL4587679 0.83 F10 (0.73) F10F2
SCHEMBL4587228 0.82 F10 (0.67) F10F2
SCHEMBL8219680 0.82 F10 (0.67) F10F2
SCHEMBL4586271 0.82 F10 (0.51) F10F2

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 18/4885HPGDS 2103/4885CHRNA7 4753/4885

“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.