SCHEMBL6462885

SCHEMBL6462885

COc1ccc(NC(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.57
ADRA2A P08913 7/20 0.57
HTR2B P41595 6/20 0.57
HRH1 P35367 5/20 0.57
ADRA1A P35348 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTR1A P08908 1/20 0.45
ULK1 O75385 1/20 0.43
ULK2 Q8IYT8 1/20 0.43
MET P08581 1/20 0.42
ROS1 P08922 1/20 0.42
ALK Q9UM73 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
SYK P43405 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
SCHEMBL6462893 1.00 MCHR1 (0.57) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6460896 0.86 MCHR1 (0.60) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6460884 0.86 MCHR1 (0.60) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6464865 0.86 MCHR1 (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6459715 0.86 MCHR1 (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878703 0.85 MCHR1 (0.62) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458399 0.85 MCHR1 (0.73) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878712 0.85 MCHR1 (0.62) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458394 0.85 MCHR1 (0.73) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456970 0.84 MCHR1 (0.59) MCHR1ADRA2AHTR2BHRH1ADRA1A

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 117/4885HTR2B 22/4885

“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.