SCHEMBL6463280

SCHEMBL6463280

CCN(CC)c1ccc(CNC[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.38
ADRA2A P08913 4/20 0.38
NPY5R Q15761 1/20 0.38
HTR2B P41595 3/20 0.37
ADRA1A P35348 2/20 0.37
HRH1 P35367 2/20 0.37
HTR1A P08908 1/20 0.35
LMNA P02545 5/20 0.34
ALDH1A1 P00352 5/20 0.34
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 2/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34
SYK P43405 1/20 0.34
ADRB2 P07550 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL6880495 1.00 MCHR1 (0.38) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6874010 0.92 MCHR1 (0.40) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6874002 0.92 MCHR1 (0.40) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6878470 0.88 MCHR1 (0.40) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6878464 0.88 MCHR1 (0.40) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6876551 0.88 ALDH1A1 (0.46) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6876546 0.88 ALDH1A1 (0.46) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6879811 0.87 L3MBTL1 (0.47) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6879806 0.87 L3MBTL1 (0.47) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6877742 0.86 ALDH1A1 (0.45) MCHR1ADRA2ANPY5RHTR2BADRA1A

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 117/4885NPY5R 8/4885

“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.