SCHEMBL3095041

SCHEMBL3095041

O=C(c1cccc(COc2ccc3c(c2)CCN(C2CCCC2)CC3)c1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.56
CYP2D6 P10635 3/20 0.56
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
POLB P06746 1/20 0.48
GFER P55789 1/20 0.48
PAX8 Q06710 1/20 0.48
KLF5 Q13887 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
TP53 P04637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL3100390 0.91 HRH3 (0.56) HRH3CYP2D6NPC1RAB9APOLB
SCHEMBL3086343 0.90 HRH3 (0.56) HRH3CYP2D6NPC1RAB9APOLB
SCHEMBL3082476 0.88 HRH3 (0.67) HRH3CYP2D6NPC1RAB9APOLB
SCHEMBL3089563 0.86 HRH3 (0.62) HRH3CYP2D6NPC1RAB9APOLB
SCHEMBL3090092 0.81 HRH3 (0.74) HRH3CYP2D6NPC1RAB9APOLB
SCHEMBL3082626 0.81 HRH3 (0.56) HRH3CYP2D6NPC1RAB9APOLB
SCHEMBL3076072 0.79 HRH3 (0.67) HRH3CYP2D6NPC1RAB9APOLB
SCHEMBL5464881 0.78 KDM4E (0.60) HRH3POLBL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL3097500 0.78 HRH3 (0.67) HRH3CYP2D6NPC1RAB9APOLB
SCHEMBL3333537 0.76 HRH3 (0.62) HRH3CYP2D6NPC1RAB9AL3MBTL1

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 186/4885NPC1 419/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B HRH3 450/4885CYP2D6 474/4885NPC1 402/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B HRH3 450/4885CYP2D6 474/4885NPC1 402/4885

“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.