SCHEMBL1477066

SCHEMBL1477066

CN(C)CCCOc1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
HRH3 Q9Y5N1 2/20 0.65
LSS P48449 1/20 0.62
LTA4H P09960 3/20 0.58
NR5A1 Q13285 1/20 0.58
ESR1 P03372 5/20 0.57
ESRRG P62508 1/20 0.57
ESR2 Q92731 2/20 0.55

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
Hydrochloric Acid SCHEMBL10806159 0.98 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL2477011 0.90 ESR1 (0.65) KDM4EALDH1A1HRH3LTA4HESR1
SCHEMBL9671156 0.89 KDM4E (0.83) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL6057395 0.88 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL8226392 0.82 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL3220867 0.81 BCHE (0.60) SMN1; SMN2HRH3
SCHEMBL3220854 0.81 BCHE (0.60) SMN1; SMN2HRH3
SCHEMBL3260775 0.81 HRH3 (0.71) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL3664138 0.81 ALDH1A1 (0.65) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL2473527 0.80 LTA4H (0.68) LTA4HNR5A1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250042855-A1 PERIPHERALLY AND LUMINALLY-RESTRICTED INHIBITORS OF THE SEROTONIN TRANSPORTER AS TREATMENTS FOR DISORDERS OF GASTROINTESTINAL MOTILITY AND GUT-BRAIN AXIS THE JOHNS HOPKINS UNIVERSITY 2025-02-06 US disclosed
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 (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 KDM4E 1317/4885ALDH1A1 1256/4885SMN1; SMN2 2136/4885
US-20060003987-A1 Compounds and their uses PARP1, PARP2, PARP3 KDM4E 1628/4885ALDH1A1 1283/4885SMN1; SMN2 1993/4885
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 KDM4E 1317/4885ALDH1A1 360/4885SMN1; SMN2 4045/4885
US-20250042855-A1 PERIPHERALLY AND LUMINALLY-RESTRICTED INHIBITORS OF THE SEROTONIN TRANSPORTER AS TREATMENTS FOR DISORDERS OF GASTROINTESTINAL MOTILITY AND GUT-BRAIN AXIS SLC6A4, HTR6, HTR5A KDM4E 2944/4885ALDH1A1 4569/4885SMN1; SMN2 1920/4885
US-20060142266-A1 Compounds and their uses PARP1, PARP2, PARP3 KDM4E 1628/4885ALDH1A1 1283/4885SMN1; SMN2 1993/4885

“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.