SCHEMBL3086339

SCHEMBL3086339

N#Cc1ccc(C=CC(=O)N2CCC(Oc3ccc4c(c3)CCN(C3=CC=C3)CC4)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 2/20 0.41
HRH3 Q9Y5N1 7/20 0.40
GPR119 Q8TDV5 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX2 P34913 1/20 0.38
CFD P00746 1/20 0.37
CYP2D6 P10635 1/20 0.37
MLNR O43193 1/20 0.36

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
SCHEMBL3086341 0.84 HRH3 (0.58) HRH3CYP2D6
SCHEMBL3086335 0.84 HRH3 (0.58) HRH3CYP2D6
SCHEMBL3087444 0.79 HTR2C (0.49) HRH3CYP2D6
SCHEMBL3094461 0.79 HRH3 (0.49) HRH3CYP2D6
SCHEMBL3095130 0.76 HTR2C (0.44) HRH3CYP2D6
SCHEMBL3089510 0.76 HTR2C (0.44) HRH3CYP2D6
SCHEMBL3088006 0.75 HRH3 (0.46) HRH3GPR119CYP2D6
SCHEMBL3097179 0.75 HRH3 (0.51) HRH3RAB9ACYP2D6
SCHEMBL3076258 0.74 HRH3 (0.61) HRH3ALDH1A1CYP2D6
SCHEMBL3085870 0.74 HRH3 (0.62) HRH3CYP2D6

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 GPR183 888/4885HRH3 211/4885GPR119 997/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B GPR183 622/4885HRH3 450/4885GPR119 821/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B GPR183 622/4885HRH3 450/4885GPR119 821/4885

“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.