SCHEMBL5641995

SCHEMBL5641995

CC(C)(CN1CCCC1)c1ccc(N2CC(CNC(=O)c3cc4ccccc4[nH]3)CC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ SCN4A P35499 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CCKBR P32239 1/20 0.42
▸ DRD2 P14416 6/20 0.42
▸ DRD3 P35462 6/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ PLD2 O14939 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR2A P28223 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
SCHEMBL5639756 0.85 BCHE (0.50) SLC6A2SLC6A4HTR1A
SCHEMBL5643279 0.83 TP53 (0.49) KDM4EDRD2DRD3OPRK1ALDH1A1
SCHEMBL5640065 0.82 ACKR3 (0.44) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL5643086 0.82 KDM4E (0.48) KDM4EHSD17B10SCN4ASCN9ASCN3A
SCHEMBL4593714 0.80 SCN4A (0.47) KDM4EHSD17B10SCN4ASCN9ASCN3A
SCHEMBL5643104 0.79 BCHE (0.43) ALDH1A1SLC6A4HTR1A
SCHEMBL5640468 0.78 F10 (0.48) KDM4EHPGDALDH1A1
SCHEMBL5642154 0.78 F10 (0.45) ALDH1A1
SCHEMBL4587626 0.77 F10 (0.44) ALDH1A1
SCHEMBL5640959 0.77 F10 (0.51) —

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 KDM4E 2227/4885HSD17B10 1275/4885SCN4A 1295/4885

“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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