SCHEMBL3333537

SCHEMBL3333537

O=C(c1ccc(COc2ccc3c(c2)CCN(C2CCCC2)CC3)cc1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.62
CYP2D6 P10635 3/20 0.62
HPGD P15428 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
GAA P10253 1/20 0.59
ALDH1A1 P00352 4/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
KMT2A Q03164 1/20 0.54
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.49
TP53 P04637 1/20 0.47

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
SCHEMBL3097500 0.92 HRH3 (0.67) HRH3CYP2D6SMN1; SMN2NPC1RAB9A
SCHEMBL3089563 0.90 HRH3 (0.62) HRH3CYP2D6HPGDSMN1; SMN2NPC1
SCHEMBL3100390 0.86 HRH3 (0.56) HRH3CYP2D6HPGDSMN1; SMN2NPC1
SCHEMBL3082626 0.86 HRH3 (0.56) HRH3CYP2D6HPGDSMN1; SMN2NPC1
SCHEMBL3087354 0.85 HRH3 (0.66) HRH3CYP2D6L3MBTL1L3MBTL3
SCHEMBL3090295 0.85 HRH3 (0.75) HRH3CYP2D6SMN1; SMN2NPC1RAB9A
SCHEMBL5662738 0.84 HRH3 (0.61) HRH3HPGDL3MBTL1L3MBTL3
SCHEMBL14339379 0.83 HRH3 (0.75) HRH3CYP2D6SMN1; SMN2NPC1RAB9A
SCHEMBL3090400 0.82 HRH3 (0.67) HRH3CYP2D6HPGDSMN1; SMN2NPC1
SCHEMBL3082476 0.82 HRH3 (0.67) HRH3CYP2D6HPGDSMN1; SMN2NPC1

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 8 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-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 186/4885HPGD 1549/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B HRH3 450/4885CYP2D6 474/4885HPGD 1838/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B HRH3 450/4885CYP2D6 474/4885HPGD 1838/4885

“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.