SCHEMBL8041607

SCHEMBL8041607

CCOC(=O)COc1ccc(OCCCCN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
HRH2 P25021 2/20 0.49
HRH1 P35367 2/20 0.49
ATM Q13315 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
DRD2 P14416 5/20 0.47
HTR1A P08908 2/20 0.47
HTR2A P28223 1/20 0.47
HTR7 P34969 1/20 0.47
ADRA1A P35348 1/20 0.47
DRD3 P35462 4/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL8165643 0.90 DRD2 (0.49) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL183129 0.88 SLC6A2 (0.57) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL182966 0.86 DRD2 (0.57) DRD2HTR1AHTR2ADRD3
SCHEMBL4250365 0.84 DRD2 (0.45) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL1491165 0.84 KDM4E (0.43) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL13160190 0.79 HTR1A (0.57) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL182524 0.78 PLA2G4B (0.54) ALDH1A1KMT2AMEN1MAPK1NPC1
SCHEMBL11183425 0.74 MAPT (0.54) KDM4EALDH1A1KMT2AMAPK1NPC1
SCHEMBL10920881 0.74 ALDH1A1 (0.57) KDM4EALDH1A1KMT2AMAPK1NPC1
SCHEMBL182622 0.74 RAB9A (0.56) ALDH1A1KMT2AMEN1MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975862-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2018-05-22 US disclosed
US-20170327477-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME REVIVA PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-9604944-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2017-03-28 US disclosed
US-20160229821-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME REVIVA PHARMACEUTICALS INC (US) 2016-08-11 US disclosed
US-9255076-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2016-02-09 US disclosed
US-20150166493-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME REVIVA PHARMACEUTICALS INC (US) 2015-06-18 US disclosed
US-8980883-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-20150005298-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME REVIVA PHARMACEUTICALS INC (US) 2015-01-01 US disclosed
US-8859552-B2 Methods of utilizing arylpiperazine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-20140155392-A1 METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2014-06-05 US disclosed
US-8461154-B2 Methods of utilizing arylpiperazine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-8431570-B2 Methods of utilizing arylpiperazine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2013-04-30 US disclosed
US-20120220579-A1 METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES BHAT LAXMINARAYAN (US) 2012-08-30 US disclosed
US-20120220574-A1 METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES BHAT LAXMINARAYAN (US) 2012-08-30 US disclosed
US-8188076-B2 Compositions, synthesis, and methods of utilizing arylpiperazine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20100216783-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. 2010-08-26 US 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 (8 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-20170327477-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME GRIK5, HTR5A, GRIK2 KDM4E 1563/4885ALDH1A1 163/4885KMT2A 1182/4885
US-20160229821-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME GRIK5, HTR5A, GRIK2 KDM4E 1563/4885ALDH1A1 163/4885KMT2A 1182/4885
US-20150005298-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME GRIK5, HTR5A, HTR2A KDM4E 1284/4885ALDH1A1 299/4885KMT2A 825/4885
US-20120220579-A1 METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES HTR5A, GRIK5, HTR2A KDM4E 1150/4885ALDH1A1 314/4885KMT2A 920/4885
US-20120220574-A1 METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES HTR5A, GRIK5, HTR2A KDM4E 1150/4885ALDH1A1 314/4885KMT2A 920/4885
US-20140155392-A1 METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES HTR5A, GRIK5, HTR2A KDM4E 1150/4885ALDH1A1 314/4885KMT2A 920/4885
US-20150166493-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME GRIK5, HTR5A, HTR2A KDM4E 1284/4885ALDH1A1 299/4885KMT2A 825/4885
US-20100216783-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES GRIK5, HTR5A, KYNU KDM4E 1154/4885ALDH1A1 623/4885KMT2A 885/4885

“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.