SCHEMBL8306548

SCHEMBL8306548

Cc1ccc(N2CCCOC2=O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 2/20 0.40
P2RX7 Q99572 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL76885 0.86 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL8306576 0.85 METAP2 (0.41) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL8306977 0.85 LMNA (0.39) ALDH1A1NPSR1HSD17B10P2RX7HPGD
SCHEMBL8270932 0.82 HTR1A (0.34) ALDH1A1MAPTMEN1KMT2AHTR1A
SCHEMBL4475157 0.82 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL14547591 0.81 ALDH1A1 (0.36) ALDH1A1KMT2AHSD17B10P2RX7KDM4E
SCHEMBL85193 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL1479878 0.79 HSD17B10 (0.49) ALDH1A1L3MBTL1HSD17B10KDM4EHPGD
SCHEMBL8303458 0.77 DGAT1 (0.43)
SCHEMBL4459556 0.76 L3MBTL1 (0.46) ALDH1A1NPSR1L3MBTL1MAPTMCOLN3

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 3204/4885NPSR1 2220/4885L3MBTL1 2178/4885

“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.