SCHEMBL1477065

SCHEMBL1477065

CN(C)CCCOc1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.62
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
HTR1B P28222 2/20 0.60
HRH1 P35367 2/20 0.57
KDM4E B2RXH2 2/20 0.53
HTR7 P34969 1/20 0.51
LSS P48449 1/20 0.50

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
SCHEMBL5585631 0.91 JAK2 (0.64) JAK2LMNAGAAMAPTHTR1B
SCHEMBL5621969 0.82 GAA (0.82) JAK2LMNAGAAMAPTKDM4E
SCHEMBL9045649 0.82 GAA (0.82) JAK2LMNAGAAMAPTKDM4E
SCHEMBL24011910 0.80 GAA (0.78) JAK2LMNAGAAMAPT
SCHEMBL9123832 0.80 GAA (0.78) JAK2LMNAGAAMAPT
SCHEMBL15650290 0.80 CYP1A2 (0.49) LMNAGAAMAPTHTR1BHRH1
SCHEMBL2637278 0.80 GAA (0.95) JAK2LMNAGAAMAPTKDM4E
SCHEMBL13948841 0.79 HRH1 (0.63) HTR1BHRH1HTR7LSS
SCHEMBL30492994 0.79 HTR7 (0.64) LMNAHTR1BHRH1HTR7LSS
SCHEMBL10989846 0.79 HRH1 (0.62) HTR1BHRH1KDM4E

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 15 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
CN-1186318-C Novel benzene amine compound, its prepn. process and medicinal compsns. contg. them SAVOIER LAB (FR) 2005-01-26 CN disclosed
EP-1275641-B1 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-01-12 EP disclosed
EP-1339402-A2 BENZOAZEPINE AND BENZODIAZEPINE DERIVATIVES AND THEIR USE AS PARP INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2003-09-03 EP disclosed
US-6541471-B1 Useful as a TXA2 receptor antagonist and a 5-HT2 receptor antagonist LES LABORATOIRES SERVIER (FR) 2003-04-01 US disclosed
CN-1397547-A Novel benzene amine compound, its prepn. process and medicinal compsns. contg. them SAVOIER LAB (FR) 2003-02-19 CN disclosed
US-20030022883-A1 Compounds and their use EISAI INC. 2003-01-30 US disclosed
EP-1275641-A2 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-01-15 EP 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 JAK2 1247/4885LMNA 187/4885GAA 907/4885
US-20060003987-A1 Compounds and their uses PARP1, PARP2, PARP3 JAK2 1384/4885LMNA 201/4885GAA 684/4885
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 JAK2 1903/4885LMNA 1749/4885GAA 387/4885
US-20060142266-A1 Compounds and their uses PARP1, PARP2, PARP3 JAK2 1384/4885LMNA 201/4885GAA 684/4885

“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.