SCHEMBL4593714

SCHEMBL4593714

O=C(NCC1CC(=O)N(c2ccc(-n3ccccc3=O)cc2)C1)c1cc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 1/20 0.47
▸ SCN9A Q15858 1/20 0.47
▸ SCN3A Q9NY46 1/20 0.47
▸ CCKBR P32239 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ F10 P00742 3/20 0.45
▸ DRD2 P14416 3/20 0.42
▸ DRD3 P35462 3/20 0.42
▸ MIF P14174 1/20 0.42
▸ PLD1 Q13393 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL5638193 0.90 F10 (0.58) F10
SCHEMBL5641611 0.83 DRD2 (0.43) SCN4ASCN9ASCN3ACCKBRKDM4E
SCHEMBL4593896 0.83 USP30 (0.52) F10ALDH1A1GAA
SCHEMBL4586927 0.82 F10 (0.48) F10
SCHEMBL4587434 0.81 CTSL (0.46) KDM4EF10
SCHEMBL5639974 0.80 HTR2C (0.45) SCN4ASCN9ASCN3ACCKBRKDM4E
SCHEMBL5641995 0.80 KDM4E (0.48) SCN4ASCN9ASCN3ACCKBRKDM4E
SCHEMBL5643086 0.80 KDM4E (0.48) SCN4ASCN9ASCN3ACCKBRKDM4E
SCHEMBL4587149 0.79 F10 (0.44) F10
SCHEMBL5641461 0.78 HRH4 (0.44) F10GAA

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 SCN4A 1295/4885SCN9A 580/4885SCN3A 842/4885

“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.

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