SCHEMBL3087085

SCHEMBL3087085

O=C(NC1CCC1)c1ccc(I)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
NPC1 O15118 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
HPGD P15428 2/20 0.62
MAPK1 P28482 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 1/20 0.54
EPHX1 P07099 1/20 0.54
EPHX2 P34913 1/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL14817965 0.96 NPC1 (0.67) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL12768314 0.95 NPC1 (0.70) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL20460442 0.95 NPC1 (0.70) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL4177216 0.92 RAB9A (0.62) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL123652 0.86 NPC1 (0.79) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL4514709 0.84 CYP1A2 (0.53) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL520877 0.84 NPC1 (0.82) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL126657 0.84 NPC1 (0.82) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL28928584 0.84 NPC1 (0.82) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL16583920 0.83 NPC1 (0.64) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19

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 14 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 disclosed
EP-2186516-B1 Novel benzazepine derivative GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
US-8207331-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-7799773-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GLAXO GROUP LIMITED 2010-06-10 US disclosed
EP-2186516-A1 Novel benzazepine derivative Glaxo Group Limited (GB) 2010-05-19 EP disclosed
US-7704994-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-04-27 US disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
EP-1572215-B1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK JAMES 2009-04-23 US disclosed
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK J 2007-12-27 US disclosed
CN-1326838-C Benzo[d]azepine derivatives for the treatment of neurological disorders GLAXO GROUP LTD (GB) 2007-07-18 CN disclosed
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
CN-1726042-A Benzo[d]azepine derivatives for the treatment of neurological disorders GLAXO GROUP LTD (GB) 2006-01-25 CN 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 (4 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 RAB9A 1285/4885NPC1 419/4885SMN1; SMN2 448/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B RAB9A 2336/4885NPC1 402/4885SMN1; SMN2 461/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B RAB9A 2336/4885NPC1 402/4885SMN1; SMN2 461/4885
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, TPH1, GRIN2B RAB9A 2059/4885NPC1 345/4885SMN1; SMN2 599/4885

“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.