SCHEMBL5827601

SCHEMBL5827601

CC(C1=NCCN1)c1cccc(N)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 12/20 0.59
ADRA2B P18089 12/20 0.59
ADRA2C P18825 12/20 0.59
HTR1A P08908 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRK1 P41145 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAOA P21397 5/20 0.43
MAOB P27338 5/20 0.43
NISCH Q9Y2I1 5/20 0.43

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
SCHEMBL952743 0.82 ADRA2A (0.59) ADRA2AADRA2BADRA2CHTR1ASLC6A4
SCHEMBL952920 0.80 ADRA2A (0.65) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL952798 0.79 ADRA2A (0.60) ADRA2AADRA2BADRA2CHTR1ASLC6A4
SCHEMBL5827514 0.77 ADRA2A (0.57) ADRA2AADRA2BADRA2C
SCHEMBL272384 0.74 CYP3A4 (0.52) ADRA2AADRA2CSLC6A4ADRA1AKCNH2
SCHEMBL953104 0.74 ADRA2A (0.65) ADRA2AADRA2BADRA2CHTR1ASLC6A4
SCHEMBL953868 0.72 ADRA2A (0.59) ADRA2AADRA2BADRA2CMAOAMAOB
Hydrochloric Acid SCHEMBL953120 0.72 ADRA2A (0.68) ADRA2AADRA2BADRA2CHTR1ASLC6A4
SCHEMBL955429 0.72 MAOA (0.62) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL8807072 0.72 ADRA2A (0.51) ADRA2AADRA2BADRA2CHTR1ASLC6A4

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 ADRA2A 50/4885ADRA2B 98/4885ADRA2C 25/4885
US-20040224993-A1 Diphenylurea compounds HTR2C, HTR2A, HTR1A ADRA2A 38/4885ADRA2B 45/4885ADRA2C 19/4885

“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.