SCHEMBL6459705

SCHEMBL6459705

CN(C)c1ccnc(NC2CCC(CNC(=O)OCc3ccccc3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.43
MCHR1 Q99705 6/20 0.43
DRD2 P14416 1/20 0.42
TNK2 Q07912 3/20 0.42
NAPEPLD Q6IQ20 2/20 0.42
MAPK8 P45983 2/20 0.41
MAPK9 P45984 2/20 0.41
MAPK10 P53779 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 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
SCHEMBL6459707 1.00 GRIN2B (0.43) GRIN2BMCHR1DRD2TNK2NAPEPLD
SCHEMBL7048334 0.89 GRIN2B (0.40) GRIN2BMCHR1DRD2TNK2MAPK8
SCHEMBL7048333 0.89 GRIN2B (0.40) GRIN2BMCHR1DRD2TNK2MAPK8
SCHEMBL6867773 0.88 ALDH1A1 (0.54) MAPK8MAPK9MAPK10ALDH1A1GAA
SCHEMBL6880526 0.88 MCHR1 (0.40) GRIN2BMCHR1ALDH1A1ADRA2AADRA1A
SCHEMBL6456570 0.86 MCHR1 (0.60) MCHR1NAPEPLDADRA2AADRA1AHRH1
SCHEMBL6456564 0.86 MCHR1 (0.60) MCHR1NAPEPLDADRA2AADRA1AHRH1
SCHEMBL6873825 0.85 MCHR1 (0.45) MCHR1DRD2NAPEPLDMAPK8MAPK9
SCHEMBL6873830 0.85 MCHR1 (0.45) MCHR1DRD2NAPEPLDMAPK8MAPK9
SCHEMBL6930461 0.85 ALDH1A1 (0.41) GRIN2BTNK2ALDH1A1

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 2 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 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 GRIN2B 138/4885MCHR1 2/4885DRD2 41/4885

“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.