SCHEMBL8306531

SCHEMBL8306531

Cc1ccc(N2CCCNC2=O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 3/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR1 P34998 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PARP1 P09874 1/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR1A P08908 1/20 0.38
HTR3A P46098 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL8305765 0.90 NPSR1 (0.46) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL4473728 0.86 MAPT (0.53) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL8306520 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL8306647 0.84 SMN1; SMN2 (0.47) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL14502102 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL4471542 0.80 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2NPSR1MAPT
SCHEMBL2760313 0.77 HSD17B10 (0.57) ALDH1A1KDM4EHTTNPSR1MAPT
SCHEMBL8286230 0.76 SMN1; SMN2 (0.54) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL8305499 0.75 HSD17B10 (0.51) ALDH1A1HPGDSMN1; SMN2NPSR1MAPT
SCHEMBL24204354 0.74 CRBN (0.67) ALDH1A1KDM4EHPGDHTTNPSR1

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 3204/4885KDM4E 2254/4885HPGD 1815/4885

“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.