SCHEMBL6463174

SCHEMBL6463174

Cc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.46
ADRA2A P08913 8/20 0.46
ADRA1A P35348 3/20 0.46
HTR2B P41595 3/20 0.46
HRH1 P35367 2/20 0.46
NPY5R Q15761 4/20 0.45
MAPK14 Q16539 4/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 2/20 0.41
HSPB1 P04792 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK11 Q15759 1/20 0.40

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
SCHEMBL6463175 1.00 MCHR1 (0.46) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6460937 0.90 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6460932 0.90 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6457744 0.90 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6457739 0.90 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6462086 0.89 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6462084 0.89 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6457284 0.88 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6457293 0.88 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6463133 0.88 MCHR1 (0.56) MCHR1ADRA2AADRA1AHTR2BHRH1

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 117/4885ADRA1A 209/4885

“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.