SCHEMBL3094882

SCHEMBL3094882

O=C(COc1ccc2c(c1)CCN(C1CCC1)CC2)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.66
KDM4E B2RXH2 2/20 0.57
ACHE P22303 1/20 0.56
FKBP1A P62942 7/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP2D6 P10635 3/20 0.55
ALDH1A1 P00352 1/20 0.53
POLB P06746 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
MGLL Q99685 1/20 0.51
ABHD6 Q9BV23 1/20 0.51

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
SCHEMBL3082479 0.91 HRH3 (0.59) HRH3KDM4EACHECYP2D6POLB
SCHEMBL3090707 0.89 HRH3 (0.63) HRH3SMN1; SMN2CYP2D6POLB
SCHEMBL3091262 0.83 HRH3 (0.73) HRH3SMN1; SMN2CYP2D6
SCHEMBL3089998 0.82 HRH3 (0.65) HRH3SMN1; SMN2CYP2D6
SCHEMBL3086253 0.82 HRH3 (0.65) HRH3SMN1; SMN2CYP2D6
SCHEMBL3086255 0.82 HRH3 (0.65) HRH3SMN1; SMN2CYP2D6
SCHEMBL6009163 0.81 HRH3 (0.69) HRH3SMN1; SMN2CYP2D6
SCHEMBL3077942 0.81 HRH3 (0.69) HRH3SMN1; SMN2CYP2D6
SCHEMBL1790803 0.81 HRH3 (0.58) HRH3KDM4ESMN1; SMN2CYP2D6ALDH1A1
SCHEMBL3082684 0.80 HRH3 (0.66) HRH3SMN1; SMN2CYP2D6

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 211/4885KDM4E 694/4885ACHE 183/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B HRH3 450/4885KDM4E 572/4885ACHE 132/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B HRH3 450/4885KDM4E 572/4885ACHE 132/4885

“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.