SCHEMBL3094891

SCHEMBL3094891

O=C(COc1ccc2c(c1)CCN(C1=CC=C1)CC2)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
MGLL Q99685 1/20 0.51
ABHD6 Q9BV23 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.49
USP2 O75604 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
PDK2 Q15119 1/20 0.47
MAPT P10636 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
SCHEMBL3082482 0.90 POLB (0.53) SMN1; SMN2POLBTDP1ALDH1A1HPGD
SCHEMBL1790805 0.81 KMT2A (0.53) FKBP1ASMN1; SMN2POLBALDH1A1HPGD
SCHEMBL3082442 0.79 TSHR (0.44) SMN1; SMN2POLBTDP1ALDH1A1HPGD
SCHEMBL3094882 0.78 HRH3 (0.66) FKBP1ASMN1; SMN2POLBTDP1MGLL
SCHEMBL1791341 0.77 PKM (0.49) POLBTDP1ALDH1A1HPGDKDM4E
SCHEMBL3232777 0.76 F10 (0.46)
SCHEMBL3098052 0.75 MAPT (0.54) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL1791978 0.74 KMT2A (0.48) SMN1; SMN2TDP1ALDH1A1NPC1KDM4E
SCHEMBL3095006 0.74 DPP4 (0.39) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4544201 0.74 DPP4 (0.39) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E

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 FKBP1A 1393/4885SMN1; SMN2 448/4885POLB 3978/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B FKBP1A 1994/4885SMN1; SMN2 461/4885POLB 4081/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B FKBP1A 1994/4885SMN1; SMN2 461/4885POLB 4081/4885

“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.