SCHEMBL1866565

SCHEMBL1866565

CC(=O)NCC1CCCC1CNC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 1/20 0.40
FAP Q12884 2/20 0.40
DPP4 P27487 1/20 0.40
PREP P48147 1/20 0.40
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
CACNA1H O95180 1/20 0.36
EPHX1 P07099 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MTNR1A P48039 4/20 0.35
MTNR1B P49286 2/20 0.35
TSHR P16473 1/20 0.34
ENGASE Q8NFI3 1/20 0.33

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
SCHEMBL13809939 0.87 EPHX1 (0.39) FUCA1FAPDPP4PREPGLA
SCHEMBL30421032 0.85 CA1 (0.47) FUCA1FAPDPP4PREPGLA
SCHEMBL23453040 0.84 CA1 (0.52) FUCA1FAPDPP4PREPKDM4E
SCHEMBL24015554 0.82 MTNR1A (0.35) FUCA1FAPDPP4PREPGLA
SCHEMBL13809941 0.82 CYP2C9 (0.38) FUCA1FAPDPP4PREPGLA
SCHEMBL13809942 0.82 CYP2C9 (0.38) FUCA1FAPDPP4PREPGLA
SCHEMBL5969117 0.81
SCHEMBL22482094 0.79 FUCA1 (0.47) FUCA1FAPDPP4PREPGLA
SCHEMBL1898034 0.77 NPC1 (0.44) FUCA1FAPDPP4PREPGLA
SCHEMBL24133924 0.77 FUCA1 (0.38) FUCA1FAPDPP4PREPGLA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 EP disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 EP 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-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE CD40, LITAF, TNF FUCA1 1655/4885FAP 4544/4885DPP4 4487/4885

“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.