SCHEMBL6463231

SCHEMBL6463231

CN(C)c1cc(NC2CCC(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 12/20 0.56
MCHR1 Q99705 12/20 0.56
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 3/20 0.49
MEN1 O00255 2/20 0.49
HRH1 P35367 2/20 0.48
HTR2B P41595 2/20 0.48
HTR1A P08908 1/20 0.48
ADRA1A P35348 1/20 0.48
NPY5R Q15761 1/20 0.48
MCL1 Q07820 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ALOX5 P09917 1/20 0.44
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6463227 1.00 ADRA2A (0.56) ADRA2AMCHR1MAPTSMN1; SMN2KMT2A
SCHEMBL6463741 0.91 ADRA2A (0.54) ADRA2AMCHR1MAPTSMN1; SMN2KMT2A
SCHEMBL6463734 0.91 ADRA2A (0.54) ADRA2AMCHR1MAPTSMN1; SMN2KMT2A
SCHEMBL6462575 0.90 SMN1; SMN2 (0.46) ADRA2AMCHR1MAPTSMN1; SMN2KMT2A
SCHEMBL6460121 0.90 SMN1; SMN2 (0.46) ADRA2AMCHR1MAPTSMN1; SMN2KMT2A
SCHEMBL6458462 0.89 ADRA2A (0.54) ADRA2AMCHR1MAPTSMN1; SMN2KMT2A
SCHEMBL6458449 0.89 ADRA2A (0.54) ADRA2AMCHR1MAPTSMN1; SMN2KMT2A
SCHEMBL6457291 0.89 MCHR1 (0.70) ADRA2AMCHR1HRH1HTR2BHTR1A
SCHEMBL6457285 0.89 MCHR1 (0.70) ADRA2AMCHR1HRH1HTR2BHTR1A
SCHEMBL6458289 0.87 MCHR1 (0.59) ADRA2AMCHR1MAPTKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 CN claimed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN claimed
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 claimed
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 claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 CN disclosed
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN 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-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 (1 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ADRA2A 117/4885MCHR1 2/4885MAPT 517/4885

“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.