SCHEMBL6461592

SCHEMBL6461592

CCOc1ccc(OCC)c(CNC[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.41
ADRA2A P08913 4/20 0.41
NPY5R Q15761 2/20 0.41
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
ADRA1A P35348 2/20 0.34
HTR2B P41595 2/20 0.34
HRH1 P35367 1/20 0.34
VCP P55072 1/20 0.34
DRD2 P14416 1/20 0.33
MAPK14 Q16539 1/20 0.33
CNR1 P21554 2/20 0.33
HTR1A P08908 1/20 0.33
ACHE P22303 1/20 0.33
CNR2 P34972 1/20 0.33
KCNH2 Q12809 1/20 0.33
AURKB Q96GD4 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
SCHEMBL6868902 1.00 MCHR1 (0.41) MCHR1ADRA2ANPY5RNOS1NOS2
SCHEMBL6876367 0.94 MCHR1 (0.43) MCHR1ADRA2ANPY5RNOS1NOS2
SCHEMBL6457227 0.94 MCHR1 (0.43) MCHR1ADRA2ANPY5RNOS1NOS2
SCHEMBL6456397 0.90 MCHR1 (0.49) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6878737 0.90 MCHR1 (0.49) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6876619 0.90 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6876624 0.90 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6875677 0.88 MCHR1 (0.41) MCHR1ADRA2ANPY5RDRD2CNR1
SCHEMBL6875669 0.88 MCHR1 (0.41) MCHR1ADRA2ANPY5RDRD2CNR1
SCHEMBL6875398 0.88 MCHR1 (0.46) MCHR1ADRA2ANPY5RDRD2MAPK14

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 5 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
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.