SCHEMBL3098052

SCHEMBL3098052

O=C(COc1ccc2c(c1)CCN(C1=CC=C1)CC2)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
LMNA P02545 1/20 0.46
ABCB1 P08183 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL3098041 0.79 HRH3 (0.62) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL3082442 0.78 TSHR (0.44) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL3082482 0.78 POLB (0.53) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1787984 0.78 NPC1 (0.48) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL3094817 0.77 HRH3 (0.67) L3MBTL1RAB9ANPC1
SCHEMBL3094891 0.75 FKBP1A (0.55) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3087258 0.74 HRH3 (0.56)
SCHEMBL2960844 0.73 MAPT (0.69) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL2950767 0.73 MAPT (0.72) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL3091201 0.72 HRH3 (0.47) ALDH1A1SMN1; SMN2

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 MAPT 866/4885ALDH1A1 465/4885L3MBTL1 2914/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B MAPT 256/4885ALDH1A1 867/4885L3MBTL1 2345/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B MAPT 256/4885ALDH1A1 867/4885L3MBTL1 2345/4885

“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.