SCHEMBL4690924

SCHEMBL4690924

COC(=O)c1ccc(N2CCCCCC2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.61
ALDH1A1 P00352 4/20 0.61
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
TSHR P16473 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 2/20 0.54
RECQL P46063 1/20 0.52
F10 P00742 2/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL4195522 0.98 ALDH1A1 (0.62) HPGDALDH1A1NPC1RAB9ATSHR
SCHEMBL70006 0.94 ALDH1A1 (0.69) HPGDALDH1A1NPC1RAB9ATSHR
SCHEMBL25240846 0.88 ALDH1A1 (0.54) HPGDALDH1A1NPC1RAB9ATSHR
SCHEMBL25236156 0.85 PKM (0.62) HPGDALDH1A1NPC1RAB9ATSHR
SCHEMBL14686859 0.83 PKM (0.63) HPGDALDH1A1NPC1RAB9ATSHR
SCHEMBL8143968 0.83 ALDH1A1 (0.47) HPGDALDH1A1NPC1RAB9ATSHR
SCHEMBL8549075 0.82 MEN1 (0.66) HPGDALDH1A1NPC1RAB9ATSHR
SCHEMBL25676615 0.81 ALDH1A1 (0.68) HPGDALDH1A1NPC1RAB9ATSHR
SCHEMBL505844 0.81 ALDH1A1 (0.90) HPGDALDH1A1NPC1RAB9ATSHR
SCHEMBL5219444 0.80 MEN1 (0.56) HPGDALDH1A1NPC1RAB9ATSHR

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 6 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
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US 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 (2 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 1815/4885ALDH1A1 3204/4885NPC1 4319/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 HPGD 1471/4885ALDH1A1 3153/4885NPC1 4282/4885

“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.