SCHEMBL3095006

SCHEMBL3095006

O=C(C1CCOCC1)N1CCC[C@@H]1COc1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
HRH3 Q9Y5N1 5/20 0.36
ALOX5AP P20292 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2D6 P10635 1/20 0.35
HCRTR2 O43614 1/20 0.35
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
F10 P00742 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL4544201 1.00 DPP4 (0.39) DPP4SMN1; SMN2HRH3ALOX5APKDM4E
SCHEMBL3232777 0.84 F10 (0.46) HRH3CYP2D6F10KDM4C
SCHEMBL3335630 0.84 HRH3 (0.41) SMN1; SMN2HRH3KDM4ECYP2D6HCRTR2
SCHEMBL3095012 0.84 HRH3 (0.53) HRH3CYP2D6
SCHEMBL3095002 0.84 HRH3 (0.53) HRH3CYP2D6
SCHEMBL3087363 0.77 HRH3 (0.53) HRH3CYP2D6CPT2CPT1AF10
SCHEMBL3089349 0.76 HRH3 (0.49) HRH3
SCHEMBL3097294 0.76 HRH3 (0.49) HRH3
SCHEMBL3094891 0.74 FKBP1A (0.55) SMN1; SMN2KDM4EALDH1A1NPC1MAPT
SCHEMBL14563877 0.73 HRH3 (0.48) HRH3CYP2D6

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 DPP4 1685/4885SMN1; SMN2 448/4885HRH3 211/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B DPP4 606/4885SMN1; SMN2 461/4885HRH3 450/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B DPP4 606/4885SMN1; SMN2 461/4885HRH3 450/4885

“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.