SCHEMBL8306091

SCHEMBL8306091

Cc1ccc(N2CCCC2=O)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
TP53 P04637 2/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PARP1 P09874 3/20 0.41
AKR1C3 P42330 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
SRD5A1 P18405 2/20 0.39
CCR1 P32246 1/20 0.39
CCR2 P41597 1/20 0.39

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
SCHEMBL8305775 0.95 HSD17B10 (0.45) HSD17B10TP53MEN1KMT2AALDH1A1
SCHEMBL12848677 0.94 HSD17B10 (0.44) HSD17B10TP53MEN1KMT2AALDH1A1
SCHEMBL2760313 0.83 HSD17B10 (0.57) HSD17B10TP53MEN1KMT2AALDH1A1
SCHEMBL9360420 0.83 ADRA1B (0.51) HSD17B10TP53ALDH1A1PARP1KDM4E
SCHEMBL77294 0.82 HSD17B10 (0.47) HSD17B10MEN1KMT2AALDH1A1PARP1
SCHEMBL22864649 0.81 HSD17B10 (0.54) HSD17B10TP53MEN1KMT2AALDH1A1
SCHEMBL8305501 0.81 HSD17B10 (0.50) HSD17B10TP53MEN1KMT2AALDH1A1
SCHEMBL5880744 0.81 HSD17B10 (0.46) HSD17B10MEN1KMT2AALDH1A1PARP1
SCHEMBL31642786 0.81 HSD17B10 (0.46) HSD17B10MEN1KMT2AALDH1A1PARP1
SCHEMBL12069251 0.81 HSD17B10 (0.43) HSD17B10MEN1KMT2AALDH1A1PARP1

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
US-20150141425-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2015-05-21 US disclosed
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 (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-20150141425-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 HSD17B10 4597/4885TP53 3390/4885MEN1 2647/4885
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD HSD17B10 3381/4885TP53 3270/4885MEN1 228/4885

“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.