SCHEMBL5827252

SCHEMBL5827252

c1ccc2c(c1)CC(c1c[nH]cn1)C2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.44
P2RX7 Q99572 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKDC P78527 1/20 0.35
PLAU P00749 1/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 3/20 0.33
IDO1 P14902 1/20 0.32

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
Hydrochloric Acid SCHEMBL8614363 0.98 ADRA1A (0.43) ADRA1AP2RX7CHRNB2CHRNA4PIK3CD
SCHEMBL8616078 0.81 SLC18A3 (0.36) ADRA1A
SCHEMBL7644557 0.81 DRD2 (0.39) ADRA1ACHRNB2CHRNA4
SCHEMBL7681696 0.81 ADRA1A (0.34) ADRA1ACYP2D6
SCHEMBL936991 0.80 SLC6A4 (0.40) CHRNB2CHRNA4
SCHEMBL7643514 0.80 SLC6A4 (0.40) P2RX7
Hydrochloric Acid SCHEMBL2918744 0.79 SLC6A4 (0.39) CHRNB2CHRNA4
SCHEMBL8611307 0.75 CHRNB2 (0.39) CHRNB2CHRNA4MEN1RECQLKMT2A
SCHEMBL232190 0.74
SCHEMBL5827498 0.74 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 11 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
EP-0618906-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE JUVANTIA PHARMA LTD OY (FI) 1998-04-22 EP disclosed
US-5498623-A MULTISTAGE REACTION FOR HALOGENATION OF COMPOUNDS, NITRATION, REDUCTION AND CONVERSION TO DIAZONIUM SALT THEN HALOGENATION FOR COGNITIVE DISORDERS ORION-YHTYMA OY (FI) 1996-03-12 US disclosed
EP-0618906-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE ANTII SAKARI HAAPALINNA (FI) 1994-10-12 EP disclosed
WO-1993013074-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Orion-Yhtymä Oy (FI) 1993-07-08 WO 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 ADRA1A 93/4885P2RX7 2091/4885CHRNB2 110/4885
US-20040224993-A1 Diphenylurea compounds HTR2C, HTR2A, HTR1A ADRA1A 122/4885P2RX7 56/4885CHRNB2 384/4885

“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.