SCHEMBL3089357

SCHEMBL3089357

Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccc3c(c2)CCN(C2=CC=C2)CC3)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 9/20 0.45
PROKR1 Q8TCW9 9/20 0.45
LMNA P02545 2/20 0.45
CYP2D6 P10635 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3089355 0.84 HRH3 (0.67) FPR2PROKR1LMNACYP2D6HRH3
SCHEMBL3087907 0.81 HRH3 (0.67) CYP2D6HRH3MAPTSMN1; SMN2
SCHEMBL3086279 0.76 HRH3 (0.71) CYP2D6HRH3TSHRKMT2AMAPT
SCHEMBL3087444 0.75 HTR2C (0.49) FPR2PROKR1CYP2D6HRH3MEN1
SCHEMBL3094461 0.72 HRH3 (0.49) CYP2D6HRH3
SCHEMBL3085870 0.72 HRH3 (0.62) CYP2D6HRH3
SCHEMBL3088006 0.71 HRH3 (0.46) CYP2D6HRH3
SCHEMBL3089510 0.70 HTR2C (0.44) FPR2PROKR1CYP2D6HRH3MAPT
SCHEMBL3095130 0.70 HTR2C (0.44) FPR2PROKR1CYP2D6HRH3MAPT
SCHEMBL3089469 0.69 HRH3 (0.41) CYP2D6HRH3

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 FPR2 3204/4885PROKR1 2609/4885LMNA 933/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B FPR2 4335/4885PROKR1 4334/4885LMNA 1097/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B FPR2 4335/4885PROKR1 4334/4885LMNA 1097/4885

“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.