SCHEMBL1477092

SCHEMBL1477092

Cc1ccoc1N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.47
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL11488569 0.76 LMNA (0.33)
SCHEMBL9119858 0.74 HTR7 (0.51) ADRB1HTR7
SCHEMBL14132118 0.69 LMNA (0.50)
SCHEMBL1698424 0.66 HTR2C (0.57) HTR2C
SCHEMBL9221563 0.66 ADRB1 (0.41) ADRB1HTR2C
SCHEMBL336283 0.65 ADRB1 (0.63) ADRB1HTR2CHTR7
SCHEMBL2545146 0.65 HTR3E (0.56) HTR7
SCHEMBL4896 0.64 ADRB1 (1.00) ADRB1HTR7
SCHEMBL2209183 0.64 ADRB1 (1.00) ADRB1HTR7
SCHEMBL29432760 0.64 ADRB1 (1.00) ADRB1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 US disclosed
US-7915280-B2 Compounds and their uses EISAI INC. (US) 2011-03-29 US disclosed
EP-1339402-B1 AZAPHENANTHRIDONE DERIVATIVES AND THEIR USE AS PARP INHIBITORS EISAI INC (US) 2010-08-25 EP 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
WO-2007051119-A1 METHODS AND COMPOSITIONS OF PARP INHIBITORS AS POTENTIATORS IN CANCER THERAPY MGI GP, INC. (US) 2007-05-03 WO 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 (5 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 ADRB1 3540/4885HTR2C 1089/4885HTR7 739/4885
US-20060003987-A1 Compounds and their uses PARP1, PARP2, PARP3 ADRB1 4053/4885HTR2C 1650/4885HTR7 1017/4885
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 ADRB1 1401/4885HTR2C 3827/4885HTR7 2952/4885
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 ADRB1 1538/4885HTR2C 1577/4885HTR7 2088/4885
US-20060142266-A1 Compounds and their uses PARP1, PARP2, PARP3 ADRB1 4053/4885HTR2C 1650/4885HTR7 1017/4885

“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.