SCHEMBL1123980

SCHEMBL1123980

CN1CCN(c2cc(N3CCc4ccccc4C3)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.67
NPSR1 Q6W5P4 1/20 0.61
NAPEPLD Q6IQ20 1/20 0.53
KMT2A Q03164 1/20 0.50
GRIN2D O15399 4/20 0.49
GRIN3B O60391 4/20 0.49
GRIN1 Q05586 4/20 0.49
GRIN2A Q12879 4/20 0.49
GRIN2B Q13224 4/20 0.49
GRIN2C Q14957 4/20 0.49
GRIN3A Q8TCU5 4/20 0.49
CHRM1 P11229 2/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
CETP P11597 1/20 0.47
CXCR4 P61073 1/20 0.47
PIK3CB P42338 1/20 0.46
NUDT1 P36639 1/20 0.46
ATR Q13535 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
SCHEMBL1123836 0.90 NAPEPLD (0.62) HRH4NPSR1NAPEPLDKMT2AGRIN2D
SCHEMBL15334821 0.88 CETP (0.59) HRH4NPSR1NAPEPLDKMT2AGRIN2D
SCHEMBL1123843 0.84 HTT (0.58) HRH4NPSR1NAPEPLDKMT2APIK3CB
SCHEMBL604976 0.81 HRH4 (1.00) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10327868 0.77 PIK3CA (0.71) PIK3CBAKT1
SCHEMBL1123614 0.76 HTT (0.62) HRH4NPSR1KMT2APIK3CBHTT
SCHEMBL1123979 0.76 HTT (0.62) HRH4NPSR1KMT2APIK3CBHTT
SCHEMBL1124300 0.76 HTT (0.62) HRH4NPSR1KMT2APIK3CBHTT
SCHEMBL4786599 0.76 CETP (0.58) NPSR1NAPEPLDKMT2ACETPPIK3CB
SCHEMBL10327982 0.75 PIK3CA (0.56) NAPEPLDGRIN2DGRIN3BGRIN1GRIN2A

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 7 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-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 HRH4 3298/4885NPSR1 2137/4885NAPEPLD 1034/4885

“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.