SCHEMBL3100797

SCHEMBL3100797

N#Cc1ccccc1COc1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.49
GPR84 Q9NQS5 1/20 0.42
MAOB P27338 1/20 0.41
HRH1 P35367 2/20 0.40
FFAR1 O14842 1/20 0.40
CYP2D6 P10635 3/20 0.39
DRD2 P14416 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MET P08581 1/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 2/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL8187226 0.83 HRH3 (0.61) HRH3GPR84MAOBDRD2DRD1
SCHEMBL3094817 0.80 HRH3 (0.67) HRH3MAOBHRH1CYP2D6
SCHEMBL3098179 0.80 MAOB (0.50) HRH3MAOBHRH1CYP2D6
SCHEMBL3101138 0.80 MAOB (0.53) HRH3GPR84MAOBHRH1FFAR1
SCHEMBL3100790 0.78 HRH3 (0.67) HRH3GPR84HRH1CYP2D6
SCHEMBL3091201 0.77 HRH3 (0.47) HRH3HRH1CYP2D6KDM4EALDH1A1
SCHEMBL3082474 0.76 MAOB (0.42) HRH3MAOBHRH1CYP2D6DRD2
SCHEMBL14563191 0.75 HRH3 (0.44) HRH3HRH1CYP2D6
SCHEMBL1792134 0.74 DRD2 (0.46) CYP2D6DRD2KDM4EALDH1A1DRD1
SCHEMBL3101101 0.74 HRH3 (0.51) HRH3HRH1CYP2D6ALDH1A1

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 211/4885GPR84 583/4885MAOB 48/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B HRH3 450/4885GPR84 1100/4885MAOB 86/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B HRH3 450/4885GPR84 1100/4885MAOB 86/4885

“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.