SCHEMBL1671165

SCHEMBL1671165

O=C1CN(Cc2ccccc2)CC(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.56
SIGMAR1 Q99720 2/20 0.55
GAA P10253 2/20 0.53
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
ACHE P22303 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
ELANE P08246 1/20 0.47
CTSG P08311 1/20 0.47
CMA1 P23946 1/20 0.47
CTRC Q99895 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
SCHEMBL31332406 0.85 EPHX2 (0.57) EPHX2SIGMAR1GAADDB1CRBN
SCHEMBL9870393 0.82 KDM4E (0.50) SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL8024414 0.82 SIGMAR1 (0.58) EPHX2SIGMAR1GAADDB1CRBN
SCHEMBL2438031 0.81 SIGMAR1 (0.60) SIGMAR1GAAALDH1A1ACHETDP1
SCHEMBL4447555 0.81 ALDH1A1 (0.58) EPHX2SIGMAR1GAADDB1CRBN
SCHEMBL9871055 0.79 ACHE (0.57) MEN1KMT2AALDH1A1ACHETDP1
SCHEMBL1011633 0.78 DDB1 (0.69) EPHX2GAADDB1CRBNMEN1
SCHEMBL9850086 0.78 DDB1 (0.69) EPHX2GAADDB1CRBNMEN1
SCHEMBL220097 0.78 SIGMAR1 (0.62) SIGMAR1GAADDB1CRBNMEN1
SCHEMBL10232320 0.78 LMNA (0.48) EPHX2SIGMAR1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491021-B1 NOVEL ACYLPIPERAZINONES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA SAS (FR) 2014-04-23 EP disclosed
EP-2491021-B1 NOVEL ACYLPIPERAZINONES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA SAS (FR) 2014-04-23 EP disclosed
US-8623865-B2 Acylpiperazinones and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2014-01-07 US disclosed
US-8623865-B2 Acylpiperazinones and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2014-01-07 US disclosed
US-20130137689-A1 NOVEL ACYLPIPERAZINONES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2013-05-30 US disclosed
US-20130137689-A1 NOVEL ACYLPIPERAZINONES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2013-05-30 US disclosed
US-8383621-B2 Acylpiperazinones and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2013-02-26 US disclosed
US-8383621-B2 Acylpiperazinones and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2013-02-26 US disclosed
US-8268849-B2 Multifunctional Antioxidants and methods of use thereof BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-09-18 US disclosed
US-20120232079-A1 NOVEL ACYLPIPERAZINONES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2012-09-13 US disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20050069276-A1 Deuterated pyrazolopyrimidinones and drugs containing said compounds BDD BEROLINA DRUG DEVELOPMENT GMBH (DE) 2005-03-31 US disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
EP-1444234-A2 DEUTERATED PYRAZOLOPYRIMIDINONES AND DRUGS CONTAINING SAID COMPOUNDS Turicum Drug Development AG (CH) 2004-08-11 EP disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003039439-A2 DEUTERATED PYRAZOLOPYRIMIDINONES AND DRUGS CONTAINING SAID COMPOUNDS TURICUM DRUG DEVELOPMENT AG (CH) 2003-05-15 WO disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed
US-4820707-A TREATING PSYCHOLOGICAL DISORDERS ADIR ET CIE (FR) 1989-04-11 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 (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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ EPHX2 1534/4885SIGMAR1 4770/4885GAA 344/4885
US-20130137689-A1 NOVEL ACYLPIPERAZINONES AND THEIR USE AS PHARMACEUTICALS AGPAT5, GNPAT, AADAC EPHX2 4046/4885SIGMAR1 1469/4885GAA 299/4885
US-20120232079-A1 NOVEL ACYLPIPERAZINONES AND THEIR USE AS PHARMACEUTICALS AGPAT5, GNPAT, AADAC EPHX2 4046/4885SIGMAR1 1469/4885GAA 299/4885
US-20050069276-A1 Deuterated pyrazolopyrimidinones and drugs containing said compounds CHRM3, MPL, PFKP EPHX2 1706/4885SIGMAR1 1140/4885GAA 3610/4885

“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.