SCHEMBL6461585

SCHEMBL6461585

CN(C)c1nc(NC2CCC(CNC(=O)Nc3ccccc3C(C)(C)C)CC2)nc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.42
ADRA2A P08913 6/20 0.41
ADRA1A P35348 2/20 0.41
HTR2B P41595 2/20 0.41
HRH1 P35367 1/20 0.41
HTR1A P08908 1/20 0.41
NPY5R Q15761 4/20 0.40
TP53 P04637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX1 P07099 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6461580 1.00 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876806 0.92 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876812 0.92 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878375 0.91 MCHR1 (0.44) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878369 0.91 MCHR1 (0.44) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876347 0.90 P2RY1 (0.44) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876354 0.90 P2RY1 (0.44) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6457919 0.89 MCHR1 (0.44) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6457909 0.89 MCHR1 (0.44) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878076 0.89 MCHR1 (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.