SCHEMBL6456293

SCHEMBL6456293

CN(C)c1cc(NC2CCC(CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.58
ADRA2A P08913 6/20 0.58
POLB P06746 1/20 0.54
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
NPY5R Q15761 2/20 0.44
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IRAK4 Q9NWZ3 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
SCHEMBL6456279 1.00 MCHR1 (0.58) MCHR1ADRA2APOLBGLAGAA
SCHEMBL6455653 0.89 MCHR1 (0.72) MCHR1ADRA2AGLAGAAALDH1A1
SCHEMBL6455649 0.89 MCHR1 (0.72) MCHR1ADRA2AGLAGAAALDH1A1
SCHEMBL6463197 0.87 MCHR1 (0.55) MCHR1ADRA2ANPY5RHPGD
SCHEMBL6463192 0.87 MCHR1 (0.55) MCHR1ADRA2ANPY5RHPGD
SCHEMBL6458291 0.87 ALDH1A1 (0.53) MCHR1ADRA2APOLBALDH1A1NPY5R
SCHEMBL6460893 0.87 ALDH1A1 (0.46) MCHR1ADRA2AGAAALDH1A1L3MBTL1
SCHEMBL6458298 0.87 ALDH1A1 (0.53) MCHR1ADRA2APOLBALDH1A1NPY5R
SCHEMBL6460890 0.87 ALDH1A1 (0.46) MCHR1ADRA2AGAAALDH1A1L3MBTL1
SCHEMBL6463136 0.86 MCHR1 (0.56) MCHR1ADRA2ANPY5RKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MCHR1 2/4885ADRA2A 117/4885POLB 3369/4885

“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.