SCHEMBL780951

SCHEMBL780951

COc1ccc(-c2csc(N3CCN(C(=O)OC(C)(C)C)CC3COc3cccnc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 3/20 0.44
TP53 P04637 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
CHRNA7 P36544 2/20 0.41
RAB9A P51151 1/20 0.41
KCNH2 Q12809 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
CYP19A1 P11511 1/20 0.40
KCNQ1 P51787 1/20 0.40

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
SCHEMBL799998 0.93 USP30 (0.48) USP30SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL4155170 0.90 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1LMNAMAPTMAPK1
SCHEMBL780839 0.85 GPR119 (0.41) USP30CHRNA7GPR119
SCHEMBL778807 0.85 GPR119 (0.42) USP30CHRNA7GPR119
SCHEMBL779402 0.83 GPR119 (0.41) USP30CHRNA7GPR119
SCHEMBL780167 0.82 GPR119 (0.45) CHRNA7GPR119
SCHEMBL780675 0.81 GPR119 (0.41) USP30CHRNA7GPR119
SCHEMBL780215 0.80 GPR119 (0.47) GPR119
SCHEMBL780262 0.78 CHRNA7 (0.56) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL780845 0.78 KCNH2 (0.57) 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 20 patents. 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-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-8822472-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2014-09-02 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
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-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 USP30 1884/4885SMN1; SMN2 782/4885ALDH1A1 1032/4885
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CHRNA7, CHRNA5, CHRNA2 USP30 1884/4885SMN1; SMN2 782/4885ALDH1A1 1032/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 USP30 1732/4885SMN1; SMN2 468/4885ALDH1A1 814/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 USP30 1884/4885SMN1; SMN2 782/4885ALDH1A1 1032/4885

“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.