SCHEMBL5452415

SCHEMBL5452415

N#Cc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCN(C3CCC3)CC4)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.51
L3MBTL3 Q96JM7 5/20 0.49
L3MBTL1 Q9Y468 5/20 0.49
MBTD1 Q05BQ5 2/20 0.49
TP53BP1 Q12888 2/20 0.49
L3MBTL4 Q8NA19 2/20 0.49
KCNH2 Q12809 2/20 0.48
CYP2D6 P10635 1/20 0.48
NAMPT P43490 2/20 0.48
TMEM97 Q5BJF2 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
MGLL Q99685 1/20 0.45
HRH1 P35367 2/20 0.45
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HRH2 P25021 1/20 0.44
ADRA1D P25100 1/20 0.44

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
SCHEMBL5452354 0.98 L3MBTL3 (0.49) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5463907 0.87 MEN1 (0.47) HRH3L3MBTL3L3MBTL1CYP2D6TMEM97
SCHEMBL14440657 0.86 HRH3 (0.56) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5459697 0.86 L3MBTL3 (0.57) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL14440465 0.84 HRH3 (0.53) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5472454 0.84 HRH3 (0.64) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5459085 0.84 L3MBTL3 (0.52) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5465885 0.84 KDM4E (0.60) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5456553 0.84 HRH3 (0.53) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5456013 0.84 HRH3 (0.51) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US claimed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1730114-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-12-13 EP disclosed
WO-2005087746-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-22 WO 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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B HRH3 38/4885L3MBTL3 3107/4885L3MBTL1 3089/4885

“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.