SCHEMBL8306468

SCHEMBL8306468

Cc1ccc(N2CCOCC2=O)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
F10 P00742 8/20 0.45
HSD17B10 Q99714 2/20 0.44
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KCNQ2 O43526 1/20 0.41
RAB9A P51151 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
SCHEMBL77090 0.86 MAPT (0.47) ALDH1A1F10PTGS2KDM4EALOX15
SCHEMBL8306422 0.85 PTGS2 (0.47) ALDH1A1L3MBTL1F10PTGS2PRKDC
SCHEMBL8306339 0.85 ALDH1A1 (0.45) ALDH1A1L3MBTL1F10HSD17B10PTGS2
SCHEMBL4464998 0.82 F10 (0.52) F10PTGS2
SCHEMBL1479610 0.81 MYC (0.49) F10HSD17B10ALOX15
SCHEMBL2941971 0.80 ALDH1A1 (0.49) ALDH1A1RAB9A
SCHEMBL29937859 0.80 ALDH1A1 (0.49) ALDH1A1RAB9A
SCHEMBL5212604 0.80 F10 (0.48) F10
SCHEMBL1675822 0.80 F10 (0.48) ALDH1A1F10HSD17B10KDM4E
SCHEMBL1675756 0.80 F10 (0.46) F10KCNQ2

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
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US 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
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 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 (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 ALDH1A1 3204/4885L3MBTL1 2178/4885F10 53/4885

“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.