SCHEMBL1318178

SCHEMBL1318178

O=C(OCc1ccccc1)N1CCC(OCCOC2CCOCC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
CYP2C19 P33261 1/20 0.58
GRIN2B Q13224 9/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 1/20 0.49
CYP2D6 P10635 4/20 0.49
CYP2C9 P11712 4/20 0.49
CYP3A4 P08684 3/20 0.47
FAAH O00519 1/20 0.46
ENPP2 Q13822 1/20 0.46

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
SCHEMBL1318565 0.94 MEN1 (0.64) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1316504 0.91 SMN1; SMN2 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30380317 0.86 SMN1; SMN2 (0.62) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4112297 0.86 SMN1; SMN2 (0.62) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1320183 0.86 SMN1; SMN2 (0.65) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL21458370 0.84 SMN1; SMN2 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL21458882 0.84 SMN1; SMN2 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1316449 0.84 SMN1; SMN2 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1316447 0.84 SMN1; SMN2 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1316448 0.84 SMN1; SMN2 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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
EP-2380878-B1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO CO LTD (JP) 2013-08-14 EP disclosed
EP-2565185-A1 [5,6]HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-06 EP disclosed
US-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-31 US disclosed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 US disclosed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 US disclosed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 US disclosed
EP-2380878-A1 CYCLIC COMPOUND HAVING HETERO ATOM Daiichi Sankyo Company, Limited (JP) 2011-10-26 EP disclosed
EP-2380878-A1 CYCLIC COMPOUND HAVING HETERO ATOM Daiichi Sankyo Company, Limited (JP) 2011-10-26 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 (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-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM BMP2, BMP4, BMP1 MEN1 892/4885KMT2A 2281/4885NPSR1 695/4885
US-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND BMP2, BMP4, SOST MEN1 2074/4885KMT2A 1945/4885NPSR1 439/4885

“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.