SCHEMBL3089563

SCHEMBL3089563

O=C(c1cccc(COc2ccc3c(c2)CCN(C2CCCC2)CC3)c1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.62
CYP2D6 P10635 3/20 0.62
NPC1 O15118 9/20 0.61
RAB9A P51151 9/20 0.61
SMN1; SMN2 Q16637 8/20 0.61
TP53 P04637 3/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ALDH1A1 P00352 4/20 0.58
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
MRGPRX4 Q96LA9 2/20 0.53
POLB P06746 1/20 0.53
GFER P55789 1/20 0.53
PAX8 Q06710 1/20 0.53
KLF5 Q13887 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 3/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
MEN1 O00255 2/20 0.50

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
SCHEMBL3082476 0.93 HRH3 (0.67) HRH3CYP2D6NPC1RAB9ASMN1; SMN2
SCHEMBL3333537 0.90 HRH3 (0.62) HRH3CYP2D6NPC1RAB9ASMN1; SMN2
SCHEMBL3086343 0.86 HRH3 (0.56) HRH3CYP2D6NPC1RAB9ASMN1; SMN2
SCHEMBL3095041 0.86 HRH3 (0.56) HRH3CYP2D6NPC1RAB9ASMN1; SMN2
SCHEMBL3090092 0.86 HRH3 (0.74) HRH3CYP2D6NPC1RAB9ASMN1; SMN2
SCHEMBL3089463 0.84 HRH3 (0.62) HRH3CYP2D6RAB9AALDH1A1L3MBTL1
SCHEMBL3076072 0.83 HRH3 (0.67) HRH3CYP2D6NPC1RAB9ASMN1; SMN2
SCHEMBL3097500 0.82 HRH3 (0.67) HRH3CYP2D6NPC1RAB9ASMN1; SMN2
SCHEMBL1791338 0.79 HRH3 (0.61) HRH3ALDH1A1L3MBTL1KDM4E
SCHEMBL3087354 0.79 HRH3 (0.66) HRH3CYP2D6L3MBTL1

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.