SCHEMBL424891

SCHEMBL424891

CN1CCN(C(=O)c2cn[c]cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.44
KDM4C Q9H3R0 1/20 0.43
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
POLB P06746 3/20 0.41
CFTR P13569 1/20 0.40
SCN7A Q01118 1/20 0.40
KCNH2 Q12809 1/20 0.40
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SCN9A Q15858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4A O75164 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
SCHEMBL23388203 0.85 PTK2 (0.50) NPC1SMN1; SMN2RAB9AHRH3POLB
SCHEMBL13779974 0.76 ALDH1A1 (0.51) HRH4KDM4CNPC1SMN1; SMN2RAB9A
SCHEMBL4350069 0.75 L3MBTL1 (0.46) HRH4KDM4CNPC1SMN1; SMN2RAB9A
SCHEMBL13772554 0.74 CYP3A4 (0.63) HRH4POLBHPGDALDH1A1ALOX15
SCHEMBL424331 0.73 POLB (0.49) HRH4KDM4CNPC1SMN1; SMN2RAB9A
SCHEMBL2347324 0.72 POLB (0.51) HRH3POLBHPGDL3MBTL1KDM4E
SCHEMBL9363737 0.71 NPC1 (0.50) HRH4KDM4CNPC1SMN1; SMN2RAB9A
SCHEMBL13974870 0.71 NAMPT (0.50) HRH4KDM4CNPC1SMN1; SMN2RAB9A
SCHEMBL20160906 0.70 TDP1 (0.66) HRH4KDM4CNPC1SMN1; SMN2RAB9A
SCHEMBL9013256 0.70 HSP90AA1 (0.48) HRH4KDM4CNPC1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP claimed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US claimed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US claimed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US claimed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US claimed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP claimed
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US disclosed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 HRH4 1231/4885KDM4C 2868/4885NPC1 2719/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 HRH4 1231/4885KDM4C 2868/4885NPC1 2719/4885

“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.