SCHEMBL4745381

SCHEMBL4745381

CC(=O)N1CCC(NC(=O)c2ccc(N3CCCCC3=O)cc2)C(N)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 2/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
F10 P00742 5/20 0.53
F2 P00734 1/20 0.53
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 1/20 0.44
GFER P55789 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL5434254 0.92 HPGD (0.54) HPGDRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL5442401 0.92 HPGD (0.53) HPGDRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL5445705 0.84 NPC1 (0.52) HPGDRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL4746829 0.84 F10 (0.66) HPGDRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL4747313 0.84 RAB9A (0.65) HPGDRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL5630333 0.84 F10 (0.56) HPGDRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL5443494 0.83 NPC1 (0.55) HPGDRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL5435276 0.83 F10 (0.64) HPGDRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL4744626 0.83 RAB9A (0.67) HPGDRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL5432482 0.80 RAB9A (0.70) HPGDRAB9ANPC1SMN1; SMN2TSHR

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-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 EP disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD HPGD 1815/4885RAB9A 3566/4885NPC1 4319/4885

“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.