SCHEMBL3775780

SCHEMBL3775780

COc1cc(F)c(CBr)cc1F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.41
HTR2C P28335 5/20 0.41
HTR2B P41595 4/20 0.41
KDM1A O60341 3/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR1A P08908 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
TUBB1 Q9H4B7 1/20 0.34

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
SCHEMBL3390504 0.89 MTNR1A (0.44) HTR2AHTR2CHTR2BKDM1AHTR1A
SCHEMBL25219237 0.88 HTR2A (0.43) HTR2AHTR2CHTR2BHTR1ALMNA
SCHEMBL16651484 0.84 HTR2A (0.49) HTR2AHTR2CMAPK1TAAR1
SCHEMBL480208 0.82 HTR2A (0.43) HTR2AHTR2CHTR2BSLC6A4KCNH2
SCHEMBL11919300 0.81 TAAR1 (0.47) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL3993092 0.80 HTR2A (0.53) HTR2AHTR2CTAAR1
SCHEMBL28691272 0.80 KDM1A (0.41) KDM1ALMNAMAPK1HTTTUBB1
SCHEMBL29660928 0.80 HTR2A (0.53) HTR2AHTR2CTAAR1
SCHEMBL14659199 0.80 HTR2A (0.44) HTR2AHTR2CTAAR1
SCHEMBL28091412 0.79 HTR2A (0.38) HTR2AHTR2CHTR2BKDM1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030560-B1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2017-06-21 EP disclosed
US-9663473-B2 Benzimidazolyl-methyl urea derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-05-30 US disclosed
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-07-14 US disclosed
EP-3030560-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd (CH) 2016-06-15 EP disclosed
WO-2015019325-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-02-12 WO disclosed
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
WO-2008087198-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 WO disclosed
EP-1912656-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2008-04-23 EP disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP disclosed
US-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives AJINOMOTO CO., INC. (JP) 2007-03-29 US disclosed
US-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives AJINOMOTO CO., INC. (JP) 2007-03-29 US disclosed
US-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives AJINOMOTO CO., INC. (JP) 2007-03-29 US disclosed
WO-2007014895-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 WO disclosed
WO-2007014895-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 WO disclosed
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 US disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 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 (4 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-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives IAPP, G6PC1, GPR119 HTR2A 3936/4885HTR2C 3821/4885HTR2B 4219/4885
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. BACE1, APP, BACE2 HTR2A 904/4885HTR2C 1353/4885HTR2B 533/4885
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE SLC5A1, SLC5A2, G6PC1 HTR2A 2048/4885HTR2C 968/4885HTR2B 2326/4885
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS UTS2R, ADORA3, P2RX7 HTR2A 1221/4885HTR2C 770/4885HTR2B 377/4885

“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.