SCHEMBL3089938

SCHEMBL3089938

O=C(NCC1CC1)c1cccc(Oc2ccc3c(c2)CCN(C2=CC=C2)CC3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PPARA Q07869 1/20 0.42
NPC1 O15118 1/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39

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
SCHEMBL3089521 0.91 HRH3 (0.52) HRH3PPARAF2PRSS1PRSS2
SCHEMBL3089934 0.83 HRH3 (0.61) RAB9AHRH3
SCHEMBL1789797 0.82 MEN1 (0.46) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL1789721 0.81 MEN1 (0.47) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL1790107 0.79 NAMPT (0.48) LMNASMN1; SMN2
SCHEMBL1787713 0.79 SMYD3 (0.53) F2PRSS1PRSS2PRSS3HDAC6
SCHEMBL1788544 0.78 SMYD3 (0.42) F2PRSS1PRSS2PRSS3PKM
SCHEMBL1788777 0.77 HRH3 (0.46) HRH3F2PRSS1PRSS2PRSS3
SCHEMBL1787579 0.76 NAMPT (0.49)
SCHEMBL3082605 0.75 HRH3 (0.59) ALDH1A1HPGDSMN1; SMN2RAB9AHRH3

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 LMNA 933/4885ALDH1A1 465/4885POLB 3978/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B LMNA 1097/4885ALDH1A1 867/4885POLB 4081/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B LMNA 1097/4885ALDH1A1 867/4885POLB 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.