SCHEMBL778608

SCHEMBL778608

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Br)cc2)C(COc2cccnc2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
SETD7 Q8WTS6 1/20 0.43
CHRNA1 P02708 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
BCL2 P10415 1/20 0.41
BECN1 Q14457 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL778764 0.92 GBA1 (0.44) DRD2DRD3CHRNA1CHRNB1CHRNB2
SCHEMBL780353 0.91 KDM4E (0.46) CHRNA1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL778754 0.87 CHRNA7 (0.54) CHRNA7
SCHEMBL782601 0.85 MAPK8 (0.41) CHRNA1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL780993 0.85 RECQL (0.43) CHRNA1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL779253 0.84 CHRNA7 (0.44) CHRNA1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL782543 0.84 GBA1 (0.44) CHRNA1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL779354 0.83 GPR119 (0.46) CHRNA1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL781189 0.83 CHRNA1 (0.46) CHRNA1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL780080 0.82 POLB (0.42) CHRNA1CHRNB1CHRNB2CHRNB4CHRNA3

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 10 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-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 DRD2 747/4885DRD3 931/4885SETD7 1827/4885
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CHRNA7, CHRNA5, CHRNA2 DRD2 747/4885DRD3 931/4885SETD7 1827/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 DRD2 558/4885DRD3 717/4885SETD7 2512/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 DRD2 747/4885DRD3 931/4885SETD7 1827/4885

“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.