SCHEMBL6463063

SCHEMBL6463063

CNc1nc(NC2CCC(CNC(=O)OCc3ccccc3)CC2)nc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 3/20 0.39
MCHR1 Q99705 1/20 0.39
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
GAA P10253 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6463065 1.00 NPY5R (0.41) NPY5RALDH1A1CYP1A2MCHR1F13A1
SCHEMBL6880422 0.88 MCHR1 (0.43) NPY5RALDH1A1CYP1A2MCHR1MEN1
SCHEMBL3941128 0.84 NPY5R (0.56) NPY5RMCHR1
SCHEMBL3941125 0.84 NPY5R (0.56) NPY5RMCHR1
SCHEMBL6876882 0.77 MCHR1 (0.39) NPY5RMCHR1MEN1KMT2AMAPT
SCHEMBL14599452 0.77 NPY5R (0.52) NPY5RALDH1A1MCHR1GAA
SCHEMBL7046594 0.76 ALDH1A1 (0.50) NPY5RALDH1A1MCHR1MEN1KMT2A
SCHEMBL13934805 0.75 ALDH1A1 (0.53) ALDH1A1CYP1A2F13A1TGM2TGM1
SCHEMBL13934792 0.75 ALDH1A1 (0.53) ALDH1A1CYP1A2F13A1TGM2TGM1
SCHEMBL7041689 0.74 MCHR1 (0.43) NPY5RMCHR1

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 NPY5R 8/4885ALDH1A1 2036/4885CYP1A2 304/4885

“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.