SCHEMBL4764965

SCHEMBL4764965

O=[N+]([O-])c1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.50
CYP2D6 P10635 4/20 0.47
ADRA2A P08913 1/20 0.47
PNMT P11086 1/20 0.47
GRIN2B Q13224 3/20 0.46
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL1950958 0.94 MEN1 (0.49) HRH3CYP2D6ADRA2APNMTGRIN2B
Hydrochloric Acid SCHEMBL7467008 0.93 MEN1 (0.48) HRH3CYP2D6ADRA2APNMTGRIN2B
SCHEMBL17797705 0.92 ALDH1A1 (0.48) HRH3CYP2D6ADRA2APNMTGRIN2B
SCHEMBL467693 0.88 GRIN2B (0.49) CYP2D6ADRA2APNMTGRIN2BNPC1
SCHEMBL30223462 0.87 HRH3 (0.45) HRH3ADRA2APNMTGRIN2BALDH1A1
SCHEMBL30612409 0.85 AKR1C3 (0.45) ADRA2APNMTGRIN2BNPC1ALDH1A1
SCHEMBL28292439 0.85 AKR1C3 (0.45) ADRA2APNMTGRIN2BNPC1ALDH1A1
SCHEMBL17797589 0.85 PNMT (0.47) ADRA2APNMTGRIN2BNPC1ALDH1A1
SCHEMBL2061518 0.83 MEN1 (0.48) ADRA2APNMTGRIN2BALDH1A1MEN1
SCHEMBL31272476 0.82 GRIN2B (0.42) HRH3ADRA2APNMTGRIN2BALDH1A1

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-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP disclosed
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
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
EP-1730114-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-12-13 EP disclosed
EP-1713778-A1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-10-25 EP disclosed
WO-2005087746-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-22 WO disclosed
WO-2005058837-A1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-06-30 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 (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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B HRH3 38/4885CYP2D6 425/4885ADRA2A 81/4885
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 HRH3 1/4885CYP2D6 1672/4885ADRA2A 244/4885

“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.