SCHEMBL778929

SCHEMBL778929

COc1ccccc1OCC1CNCCN1C(=O)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CHRNA7 P36544 2/20 0.54
KCNH2 Q12809 1/20 0.54

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 SCHEMBL779247 0.99 KCNH2 (0.55) MEN1USP2MAPK1KMT2ANPSR1
SCHEMBL782061 0.86 CHRNA7 (0.54) CHRNA7KCNH2
SCHEMBL782141 0.86 CHRNA7 (0.63) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL779492 0.86 KCNH2 (0.55) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL779307 0.85 KCNH2 (0.63) CHRNA7KCNH2
SCHEMBL780514 0.84 CHRNA7 (0.56) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL781104 0.84 KCNH2 (0.57) CHRNA7KCNH2
SCHEMBL4012191 0.83 CHRNA7 (0.55) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL778921 0.82 KCNH2 (0.56) CHRNA7KCNH2
SCHEMBL778494 0.80 CHRNA7 (0.77) CHRNA7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044038-B1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CORNERSTONE THERAPEUTICS INC (US) 2014-07-02 EP claimed
EP-2044038-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Cornerstone Therapeutics Inc. (US) 2009-04-08 EP claimed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 WO claimed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-9428522-B2 Piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2016-08-30 US disclosed
US-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2014-11-20 US disclosed
US-8822472-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2014-09-02 US disclosed
EP-2044038-B1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CORNERSTONE THERAPEUTICS INC (US) 2014-07-02 EP disclosed
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CORNERSTONE THERAPEUTICS, INC. (US) 2012-03-22 US disclosed
US-7943622-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-05-17 US disclosed
EP-2044038-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Cornerstone Therapeutics Inc. (US) 2009-04-08 EP disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 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-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA2 MEN1 4856/4885USP2 1754/4885MAPK1 3555/4885
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CHRNA7, CHRNA5, CHRNA2 MEN1 4856/4885USP2 1754/4885MAPK1 3555/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 MEN1 4843/4885USP2 1700/4885MAPK1 3690/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 MEN1 4856/4885USP2 1754/4885MAPK1 3555/4885

“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.