SCHEMBL8306520

SCHEMBL8306520

Cc1ccc(N2CCCNC2=O)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
PARP1 P09874 2/20 0.43
CRHR1 P34998 1/20 0.38
CCR1 P32246 1/20 0.38
CCR2 P41597 1/20 0.38
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 1/20 0.35
MAP4K1 Q92918 1/20 0.35
SCN9A Q15858 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL8305608 0.91 SCN9A (0.42) ALDH1A1HPGDKDM4EHTTPARP1
SCHEMBL8306531 0.84 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EHTTSMN1; SMN2
SCHEMBL29348970 0.82 PARP1 (0.43) ALDH1A1HPGDPARP1CRHR1CCR1
SCHEMBL8306647 0.82 SMN1; SMN2 (0.47) ALDH1A1HPGDKDM4EHTTSMN1; SMN2
SCHEMBL14502102 0.78 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EHTTSMN1; SMN2
SCHEMBL8306091 0.78 HSD17B10 (0.50) ALDH1A1KDM4EHTTPARP1CCR1
SCHEMBL8305775 0.77 HSD17B10 (0.45) ALDH1A1PARP1CCR1CCR2MEN1
SCHEMBL24208027 0.76 CRBN (0.55) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL12848677 0.76 HSD17B10 (0.44) ALDH1A1SMN1; SMN2PARP1CCR1CCR2
SCHEMBL31105484 0.76 CRBN (0.55) ALDH1A1KDM4EHTTMEN1KMT2A

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 3204/4885HPGD 1815/4885KDM4E 2254/4885

“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.