SCHEMBL4033899

SCHEMBL4033899

CC(C)(C)OC(=O)NC1CCC(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALOX5 P09917 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
RECQL P46063 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PTPN1 P18031 1/20 0.43
PKM P14618 2/20 0.42
KMT2A Q03164 2/20 0.42
IGF1R P08069 1/20 0.42
ALK Q9UM73 1/20 0.42

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
SCHEMBL4033903 1.00 DRD2 (0.49) DRD2ALDH1A1KDM4EPOLBMAPT
SCHEMBL15670820 0.88 POLB (0.61) DRD2ALDH1A1KDM4EPOLBMAPT
SCHEMBL1019102 0.82 MAPT (0.55) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL15670610 0.80 SIGMAR1 (0.65) DRD2ALDH1A1KDM4EPOLBMAPT
Hydrochloric Acid SCHEMBL6465949 0.78 POLB (0.51) ALDH1A1KDM4EPOLBMAPTNPC1
Hydrochloric Acid SCHEMBL6465958 0.78 POLB (0.51) ALDH1A1KDM4EPOLBMAPTNPC1
SCHEMBL6382313 0.77 ALDH1A1 (0.47) ALDH1A1POLBMAPTRAB9ASIGMAR1
SCHEMBL6382309 0.77 ALDH1A1 (0.47) ALDH1A1POLBMAPTRAB9ASIGMAR1
SCHEMBL4194661 0.77 POLB (0.64) DRD2ALDH1A1KDM4EPOLBMAPT
SCHEMBL4194665 0.77 POLB (0.64) DRD2ALDH1A1KDM4EPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 WO disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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 (2 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 DRD2 54/4885ALDH1A1 2069/4885KDM4E 1012/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 DRD2 41/4885ALDH1A1 2036/4885KDM4E 1190/4885

“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.