SCHEMBL780792

SCHEMBL780792

Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2COc2cccnc2)oc1C(=O)NCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
GPR119 Q8TDV5 3/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 1/20 0.40
TP53 P04637 2/20 0.39
HDAC1 Q13547 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNA7 P36544 1/20 0.37
GBA1 P04062 1/20 0.37

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
SCHEMBL4019036 0.91 CHRNA7 (0.40) TP53SMN1; SMN2CHRNA7
SCHEMBL779905 0.86 GPR119 (0.44) GPR119CHRNA7
SCHEMBL780239 0.82 CHRNA7 (0.57) CHRNA7
Hydrochloric Acid SCHEMBL780952 0.82 CHRNA7 (0.57) CHRNA7
SCHEMBL780438 0.81 CHRNA7 (0.47) GPR119CHRNA7GBA1
SCHEMBL780135 0.79 CHRNA7 (0.60) GPR119CHRNA7
SCHEMBL780477 0.79 GPR119 (0.44) GPR119CHRNA7
SCHEMBL779655 0.79 GPR119 (0.44) GPR119CHRNA7GBA1
SCHEMBL781787 0.76 CHRNA7 (0.44) CHRNA7
SCHEMBL778807 0.74 GPR119 (0.42) GPR119CHRNA7GBA1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
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-9428522-B2 Piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2016-08-30 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-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2014-11-20 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
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CORNERSTONE THERAPEUTICS, INC. (US) 2012-03-22 US 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
US-7943622-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-05-17 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
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US 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 NAMPT 2302/4885GPR119 230/4885LMNA 2589/4885
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CHRNA7, CHRNA5, CHRNA2 NAMPT 2302/4885GPR119 230/4885LMNA 2589/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 NAMPT 2650/4885GPR119 192/4885LMNA 2369/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 NAMPT 2302/4885GPR119 230/4885LMNA 2589/4885

“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.