SCHEMBL1479634

SCHEMBL1479634

COc1cccc2c1C(OC)CNC2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
PNMT P11086 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HTR1A P08908 1/20 0.35

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
SCHEMBL17965649 0.81 HTR2A (0.40) HTR2AHTR2CHTR2BPNMTHCRTR1
SCHEMBL8905903 0.74 PDE4A (0.41) HTR2A
Hydrochloric Acid SCHEMBL11798094 0.73 SLC6A4 (0.40) HTR2AHTR2CHTR2BHCRTR1HCRTR2
SCHEMBL31047642 0.73 MEN1 (0.51) HTR2AHTR2CHTR2BPNMT
SCHEMBL7865801 0.73 MEN1 (0.51) HTR2AHTR2CHTR2BPNMT
SCHEMBL25954048 0.71 HTR1A (0.41) HTR2ADRD2HTR1A
Hydrochloric Acid SCHEMBL11795282 0.71 SLC6A4 (0.41) HTR2AHTR2CHTR2BDRD2
Hydrochloric Acid SCHEMBL11796920 0.70 SLC6A4 (0.46) HTR2AHTR2BHTR1A
SCHEMBL8401852 0.70 HTR2A (0.40) HTR2AHTR2CHTR2BHTR1A
SCHEMBL8401854 0.70 HTR2A (0.40) HTR2AHTR2CHTR2BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915280-B2 Compounds and their uses EISAI INC. (US) 2011-03-29 US disclosed
US-RE41150-E1 Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one EISAI CORPORATION OF NORTH AMERICA (US) 2010-02-23 US disclosed
US-7235557-B2 Compounds and their uses MGI GP, INC. (US) 2007-06-26 US disclosed
US-20060142266-A1 Compounds and their uses MGI GP, INC. (US) 2006-06-29 US disclosed
US-20060003987-A1 Compounds and their uses GUILFORD PHARMACEUTICALS, INC. (US) 2006-01-05 US disclosed
US-20050148575-A1 (Di)Azepino[5,4,3-cd]benzothiophenes; poly(ADP-ribose) polymerase (PARP) and glycohydrolase (PARG) inhibitor; antiinflammatory; protects cells, tissue and organs against the ill-effects of reactive free radicals and nitric oxide, and damage following focal ischemia and reperfusion injury GUILFORD PHARMACEUTICALS INC. (US) 2005-07-07 US disclosed
US-6887996-B2 Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one GUILFORD PHARMACEUTICALS INC. (US) 2005-05-03 US disclosed
EP-1339402-A2 BENZOAZEPINE AND BENZODIAZEPINE DERIVATIVES AND THEIR USE AS PARP INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2003-09-03 EP disclosed
US-20030022883-A1 Compounds and their use EISAI INC. 2003-01-30 US disclosed
WO-2002044183-A2 BENZOAZEPINE AND BENZODIAZEPINE DERIVATIVES AND THEIR USE AS PARP INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-06-06 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-20030022883-A1 Compounds and their use PARP1, PARP2, PARP3 HTR2A 863/4885HTR2C 1089/4885HTR2B 834/4885
US-20060003987-A1 Compounds and their uses PARP1, PARP2, PARP3 HTR2A 1183/4885HTR2C 1650/4885HTR2B 1300/4885
US-20050148575-A1 (Di)Azepino[5,4,3-cd]benzothiophenes; poly(ADP-ribose) polymerase (PARP) and glycohydrolase (PARG) inhibitor; antiinflammatory; protects cells, tissue and organs against the ill-effects of reactive free radicals and nitric oxide, and damage following focal ischemia and reperfusion injury PARP1, PARP11, PARP15 HTR2A 1598/4885HTR2C 1577/4885HTR2B 1193/4885
US-20060142266-A1 Compounds and their uses PARP1, PARP2, PARP3 HTR2A 1183/4885HTR2C 1650/4885HTR2B 1300/4885

“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.