SCHEMBL6461229

SCHEMBL6461229

COc1ccc(C(O)C(=O)NC2CCC(Nc3ncc(C)c(N(C)C)n3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.58
ADRA2A P08913 7/20 0.58
HTR2B P41595 6/20 0.58
HRH1 P35367 5/20 0.58
ADRA1A P35348 4/20 0.56
HTR1A P08908 1/20 0.44
MAPK6 Q16659 2/20 0.41
CNR1 P21554 1/20 0.41
KCNH2 Q12809 1/20 0.41
AURKB Q96GD4 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
ACACB O00763 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CRHBP P24387 1/20 0.39
CYP2C19 P33261 1/20 0.39
CRHR2 Q13324 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39

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
SCHEMBL6461223 1.00 MCHR1 (0.58) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6457356 0.89 MCHR1 (0.72) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6457348 0.89 MCHR1 (0.72) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6873089 0.84 MCHR1 (0.81) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6873083 0.84 MCHR1 (0.81) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6462468 0.84 MCHR1 (0.70) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6462472 0.84 MCHR1 (0.70) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6462080 0.83 MCHR1 (0.69) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6462077 0.83 MCHR1 (0.69) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6462290 0.83 MCHR1 (0.60) 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 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 117/4885HTR2B 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.