SCHEMBL4078348

SCHEMBL4078348

c1cc2ccc3c(c2o1)CCC3

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.66
HTR2C P28335 4/20 0.66
HTR2B P41595 4/20 0.66
HTR1A P08908 4/20 0.46
DRD3 P35462 4/20 0.46
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
P4HB P07237 1/20 0.40
DRD4 P21917 1/20 0.35
NQO1 P15559 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2700558 0.96 HTR2A (0.66) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL28843767 0.82 HTR2A (0.50) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL10487277 0.72 DRD3 (0.56) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL29591293 0.69 MAOA (0.46) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL4419988 0.69 MAOA (0.46) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL23944932 0.69 PARP1 (0.46) MAOAMAOBNOS3NOS1NOS2
SCHEMBL11065657 0.69 HTR1D (0.51) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL13983903 0.68 HTR2C (0.66) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL22174146 0.64 HTR2A (0.44) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL1278375 0.64 BCL2L1 (0.52) NOS3NOS1NOS2PARP1

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-2083819-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2017-02-22 EP disclosed
CN-101023055-B Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC 2010-10-06 CN disclosed
EP-1795524-A4 CYCLIC AMINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2009-08-05 EP disclosed
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 US disclosed
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 US disclosed
CN-101023055-A Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC (JP) 2007-08-22 CN disclosed
EP-1795524-A1 CYCLIC AMINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-06-13 EP disclosed
EP-1795524-A1 CYCLIC AMINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-06-13 EP disclosed
WO-2006033318-A1 CYCLIC AMINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2006-03-30 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 (1 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-20070197594-A1 Cyclic amine derivative or salt thereof GRIN1, PARK7, GRIN3A HTR2A 575/4885HTR2C 913/4885HTR2B 585/4885

“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.