SCHEMBL5646902

SCHEMBL5646902

O=[C]NCCC1CCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
SIGMAR1 Q99720 3/20 0.41
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
KDM1A O60341 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
CA2 P00918 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DAO P14920 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
SCHEMBL348935 1.00 EPHX1 (0.44) EPHX1SIGMAR1HPGDCYP1A2HDAC3
SCHEMBL5649837 0.98 EPHX1 (0.41) EPHX1SIGMAR1HPGDCYP1A2HDAC3
SCHEMBL5651673 0.93
SCHEMBL5649211 0.88
SCHEMBL4871929 0.87 SIGMAR1 (0.47) EPHX1SIGMAR1HPGDCYP1A2KDM1A
SCHEMBL8861016 0.85 SIGMAR1 (0.55) EPHX1SIGMAR1HPGDCYP1A2
SCHEMBL5653604 0.84 SIGMAR1 (0.44) EPHX1SIGMAR1HPGDCYP1A2KDM1A
SCHEMBL8861067 0.84 SIGMAR1 (0.58) EPHX1SIGMAR1CYP1A2
SCHEMBL8860836 0.84 SIGMAR1 (0.58) EPHX1SIGMAR1CYP1A2
SCHEMBL3949497 0.78 KDM1A (0.38) SIGMAR1KDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 EPHX1 2605/4885SIGMAR1 539/4885HPGD 1549/4885

“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.