SCHEMBL2386441

SCHEMBL2386441

CN1CCN(Cc2ccc(Cl)cc2Cl)CC1C1=NCCN1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
SIGMAR1 Q99720 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
CYP2A13 Q16696 1/20 0.42
MAPT P10636 1/20 0.39
PDE2A O00408 1/20 0.39
DRD4 P21917 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8944853 0.89 SIGMAR1 (0.44) KDM4ETDP1ALDH1A1POLBSIGMAR1
SCHEMBL8944513 0.86 SIGMAR1 (0.44) KDM4EALDH1A1SIGMAR1KMT2A
SCHEMBL2387265 0.81 KDM4E (0.44) KDM4ETDP1ALDH1A1POLBSIGMAR1
SCHEMBL8944590 0.75 KDM4E (0.45) KDM4ETDP1ALDH1A1POLBSIGMAR1
SCHEMBL8944554 0.75 SIGMAR1 (0.44) KDM4EALDH1A1SIGMAR1CYP2A13MAPT
SCHEMBL8944703 0.75 SIGMAR1 (0.41) KDM4EALDH1A1SIGMAR1KMT2A
SCHEMBL8944864 0.74 L3MBTL1 (0.42) KDM4EALDH1A1SIGMAR1KMT2A
SCHEMBL8944769 0.72 ALDH1A1 (0.47) KDM4EALDH1A1SIGMAR1MAPTKMT2A
SCHEMBL8944696 0.71 NISCH (0.41) KDM4ESIGMAR1NISCHKMT2A
SCHEMBL8944610 0.70 KMT2A (0.39) KDM4EALDH1A1SIGMAR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638568-B1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR (FR) 1996-10-09 EP claimed
US-5500426-A ADMINISTERED TO IMPROVE GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-03-19 US claimed
US-5492912-A IMPROVES GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-02-20 US claimed
EP-0638568-A1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-02-15 EP claimed
US-20110229571-A1 Pharmaceutical Compositions Comprising a Selective I1 Imidazoline Receptor Agonist and an Angiotensin II Receptor Blocker ABBOTT PRODUCTS GMBH (DE) 2011-09-22 US disclosed
WO-2008157537-A2 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC (US) 2008-12-24 WO disclosed
US-7309706-B2 Method for the treatment of diseases requiring inhibition or a reduction in the activity of pH value-regulating bicarbonate transporter proteins SOLVAY PHARMACEUTICALS GMBH (DE) 2007-12-18 US disclosed
EP-1673107-A2 PHARMACEUTICAL COMPOSITION COMPRISING A SELECTIVE I1 IMIDAZOLINE RECEPTOR AGONIST AND AN ANGIOTENSIN II RECEPTOR BLOCKER Solvay Pharmaceuticals GmbH (DE) 2006-06-28 EP disclosed
US-20050165080-A1 Method for the treatment of diseases requiring inhibition or a reduction in the activity of pH value-regulating bicarbonate transporter proteins SOLVAY PHARMACEUTICALS GMBH (DE) 2005-07-28 US disclosed
US-20050143435-A1 Pharmaceutical compositions comprising a selective I1 imidazoline receptor agonist and an angiotensin II receptor blocker SOLVAY PHARMACEUTICALS GMBH (DE) 2005-06-30 US disclosed
WO-2005039639-A2 PHARMACEUTICAL COMPOSITION COMPRISING A SELECTIVE I1 IMIDAZOLINE RECEPTOR AGONIST AND AN ANGIOTENSIN II RECEPTOR BLOCKER SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-06 WO disclosed
EP-1517688-A2 MEDICAMENT FOR THE TREATMENT OF DISEASES REQUIRING INHIBITION OR A REDUCTION IN THE ACTIVITY OF PH VALUE-REGULATING BICARBONATE TRANSPORTER PROTEINS Solvay Pharmaceuticals GmbH (DE) 2005-03-30 EP disclosed
WO-2004000312-A2 MEDICAMENT FOR THE TREATMENT OF DISEASES REQUIRING INHIBITION OR A REDUCTION IN THE ACTIVITY OF PH VALUE-REGULATING BICARBONATE TRANSPORTER PROTEINS SOLVAY PHARMACEUTICALS GMBH (DE) 2003-12-31 WO disclosed
EP-0638568-B1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR (FR) 1996-10-09 EP disclosed
US-5500426-A ADMINISTERED TO IMPROVE GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-03-19 US disclosed
US-5492912-A IMPROVES GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-02-20 US disclosed
EP-0638568-A1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-02-15 EP 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 (3 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-20050165080-A1 Method for the treatment of diseases requiring inhibition or a reduction in the activity of pH value-regulating bicarbonate transporter proteins CHERP, MLNR, SLC18A2 KDM4E 3712/4885TDP1 4517/4885ALDH1A1 4398/4885
US-20050143435-A1 Pharmaceutical compositions comprising a selective I1 imidazoline receptor agonist and an angiotensin II receptor blocker AGTR2, AGTR1, REN KDM4E 4349/4885TDP1 3483/4885ALDH1A1 3177/4885
US-20110229571-A1 Pharmaceutical Compositions Comprising a Selective I1 Imidazoline Receptor Agonist and an Angiotensin II Receptor Blocker AGTR2, AGTR1, REN KDM4E 4312/4885TDP1 4171/4885ALDH1A1 3066/4885

“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.