SCHEMBL5827464

SCHEMBL5827464

Nc1ccc2c(c1)CC(c1c[nH]cn1)CC2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PRKDC P78527 1/20 0.34
DRD2 P14416 4/20 0.33
DRD3 P35462 4/20 0.33
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
ROCK2 O75116 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL5827303 0.90 PSEN1 (0.32) HTR1DHTR1BPSEN1PSEN2APH1B
SCHEMBL7643514 0.72 SLC6A4 (0.40) DRD2DRD3
SCHEMBL936991 0.72 SLC6A4 (0.40) DRD2DRD3HTR1DHTR1BPSEN1
Hydrochloric Acid SCHEMBL2918744 0.71 SLC6A4 (0.39) DRD2DRD3HTR1DHTR1BPSEN1
SCHEMBL5827252 0.70 ADRA1A (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
Hydrochloric Acid SCHEMBL8614363 0.68 ADRA1A (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL232190 0.68
SCHEMBL9752112 0.68 DRD2 (0.65) GRIN2BDRD2DRD3
SCHEMBL30324474 0.68 DRD2 (0.65) GRIN2BDRD2DRD3
SCHEMBL5827498 0.67 PNMT (0.47)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026357-B2 Diphenylurea compounds LES LABORATOIRES SERVIER (FR) 2006-04-11 US disclosed
EP-1170288-B9 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists SERVIER LAB (FR) 2005-01-26 EP disclosed
US-20040224993-A1 Diphenylurea compounds LAVIELLE GILBERT (FR) 2004-11-11 US disclosed
US-6784183-B2 ANTISEROTONINE AGENTS LES LABORATOIRES SERVIER (FR) 2004-08-31 US disclosed
EP-1170288-B1 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists SERVIER LAB (FR) 2004-08-11 EP disclosed
US-20020025965-A1 Antiserotonine agents ADIR ET COMPAGNIE (FR) 2002-02-28 US disclosed
EP-1170288-A2 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists LES LABORATOIRES SERVIER (FR) 2002-01-09 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 (2 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-20020025965-A1 Antiserotonine agents HTR2C, HTR3C, HTR3A GRIN2B 403/4885PIK3CD 4078/4885PIK3CA 4506/4885
US-20040224993-A1 Diphenylurea compounds HTR2C, HTR2A, HTR1A GRIN2B 106/4885PIK3CD 1746/4885PIK3CA 2741/4885

“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.