SCHEMBL1707159

SCHEMBL1707159

NC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 1.00
HRH1 P35367 2/20 0.65
OPRM1 P35372 2/20 0.63
OPRD1 P41143 2/20 0.63
OPRK1 P41145 1/20 0.63

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
SCHEMBL3699427 0.91 HRH3 (0.83) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL3090975 0.91 HRH3 (0.83) HRH3HRH1
SCHEMBL3082047 0.90 HRH3 (0.81) HRH3HRH1
SCHEMBL3094776 0.89 HRH3 (0.82) HRH3HRH1
SCHEMBL14372315 0.88 HRH3 (0.79) HRH3HRH1
SCHEMBL4563345 0.88 HRH3 (1.00) HRH3HRH1
SCHEMBL3086198 0.88 HRH3 (0.80) HRH3HRH1
SCHEMBL3094250 0.87 HRH3 (0.83) HRH3HRH1
Gsk189254 SCHEMBL29769888 0.87 HRH3 (1.00) HRH3HRH1
SCHEMBL3094821 0.87 HRH3 (0.98) HRH3HRH1

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 17 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
US-8288389-B2 Piperazine derivative having affinity for the histamine H3 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
EP-2195307-B1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2012-04-18 EP disclosed
US-20100204242-A1 Piperazine Derivative Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2010-08-12 US disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
US-7560453-B2 6-(2, 3, 4, 5-tetrahydro-1H-benzo [D] azepin-7-yloxy) -nicotamide derivatives as radio labelled ligands GLAXO GROUP LIMITED (GB) 2009-07-14 US disclosed
US-7560453-B2 6-(2, 3, 4, 5-tetrahydro-1H-benzo [D] azepin-7-yloxy) -nicotamide derivatives as radio labelled ligands GLAXO GROUP LIMITED (GB) 2009-07-14 US disclosed
US-20090170869-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-07-02 US disclosed
US-20080166298-A1 6- (2, 3, 4, 5-Tetrahydro-1H-Benzo [D] Azepin-7-Yloxy) -Nicotamide Derivatives as Radio Labelled Ligands GLAXO GROUP LIMITED 2008-07-10 US disclosed
US-20080166298-A1 6- (2, 3, 4, 5-Tetrahydro-1H-Benzo [D] Azepin-7-Yloxy) -Nicotamide Derivatives as Radio Labelled Ligands GLAXO GROUP LIMITED 2008-07-10 US 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 (6 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-20090170869-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 HRH3 1/4885HRH1 3/4885OPRM1 412/4885
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders DRD1, DRD2, DRD3 HRH3 211/4885HRH1 286/4885OPRM1 268/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B HRH3 450/4885HRH1 947/4885OPRM1 794/4885
US-20100204242-A1 Piperazine Derivative Having Affinity for the Histamine H3 Receptor HRH3, HRH4, HRH1 HRH3 1/4885HRH1 3/4885OPRM1 412/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B HRH3 450/4885HRH1 947/4885OPRM1 794/4885
US-20080166298-A1 6- (2, 3, 4, 5-Tetrahydro-1H-Benzo [D] Azepin-7-Yloxy) -Nicotamide Derivatives as Radio Labelled Ligands HRH3, HRH4, HRH1 HRH3 1/4885HRH1 3/4885OPRM1 185/4885

“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.