SCHEMBL1124061

SCHEMBL1124061

CC(=O)C1(c2ccccc2)CCN(c2nc(N3CCOCC3)cc(N3CCOCC3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.56
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
GBA1 P04062 1/20 0.48
HTT P42858 3/20 0.47
PIK3CA P42336 2/20 0.47
PKM P14618 1/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
PIK3CB P42338 1/20 0.45
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
GPR55 Q9Y2T6 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL1123942 1.00 OPRD1 (0.56) OPRD1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL1123749 0.84 OPRD1 (0.46) OPRD1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL1123707 0.84 OPRD1 (0.46) OPRD1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL1124039 0.82 HTT (0.52) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL1123992 0.82 HTT (0.52) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL14503579 0.79 OPRD1 (0.54) OPRD1KDM4EALDH1A1GAAKMT2A
SCHEMBL12562729 0.78 HTT (0.51) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL1123724 0.76 HTT (0.49) KDM4EKMT2AHTTPIK3CAHSD17B10
SCHEMBL1123905 0.76 HTT (0.49) KDM4EKMT2AHTTPIK3CAHSD17B10
SCHEMBL1124037 0.76 PIK3CA (0.65) KDM4EALDH1A1SMN1; SMN2GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US claimed
EP-2284160-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-02-16 EP claimed
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
EP-2284160-B1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KK (JP) 2013-05-15 EP disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US disclosed
EP-2284160-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-02-16 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-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF CASP3, DPYD, CASP1 OPRD1 3604/4885KDM4E 4265/4885ALDH1A1 213/4885

“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.