SCHEMBL3082479

SCHEMBL3082479

O=C(COc1ccc2c(c1)CCN(C1CCC1)CC2)N1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.59
CYP2D6 P10635 4/20 0.59
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ACHE P22303 2/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL3094882 0.91 HRH3 (0.66) HRH3CYP2D6KDM4EACHEPOLB
SCHEMBL3087638 0.87 HRH3 (0.56) HRH3CYP2D6NPSR1RAB9ANPC1
SCHEMBL3082182 0.86 HRH3 (0.55) HRH3CYP2D6NPSR1RAB9ANPC1
SCHEMBL3082438 0.82 HRH3 (0.58) HRH3CYP2D6
SCHEMBL2821544 0.80 HRH3 (0.64) HRH3CYP2D6
SCHEMBL3090707 0.79 HRH3 (0.63) HRH3CYP2D6CYP2C19RAB9APOLB
SCHEMBL3098041 0.79 HRH3 (0.62) HRH3CYP2D6RAB9ANPC1
SCHEMBL3087404 0.79 HRH3 (0.62) HRH3CYP2D6
SCHEMBL5464873 0.79 KDM4E (0.66) HRH3CYP2D6KDM4EACHEPOLB
SCHEMBL3097500 0.78 HRH3 (0.67) HRH3CYP2D6RAB9ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP claimed
US-8207331-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2012-06-26 US claimed
US-7799773-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-09-21 US claimed
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GLAXO GROUP LIMITED 2010-06-10 US claimed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP claimed
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK JAMES 2009-04-23 US claimed
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2006-02-23 US claimed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 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 (3 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-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders DRD1, DRD2, DRD3 HRH3 211/4885CYP2D6 186/4885CYP2C19 85/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B HRH3 450/4885CYP2D6 474/4885CYP2C19 524/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B HRH3 450/4885CYP2D6 474/4885CYP2C19 524/4885

“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.