SCHEMBL6455824

SCHEMBL6455824

COc1ccc(CNC[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.46
NPY5R Q15761 3/20 0.46
ADRA2A P08913 2/20 0.46
SLC2A1 P11166 1/20 0.43
MAPK8 P45983 2/20 0.40
MAPK9 P45984 2/20 0.40
MAPK10 P53779 2/20 0.40
ACHE P22303 5/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
APP P05067 2/20 0.38
BCHE P06276 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
BACE1 P56817 2/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
NPY1R P25929 1/20 0.36

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
SCHEMBL6876612 1.00 MCHR1 (0.46) MCHR1NPY5RADRA2ASLC2A1MAPK8
SCHEMBL6869183 0.89 KDM1A (0.44) MCHR1ADRA2ASLC2A1MAPK8MAPK9
SCHEMBL6869175 0.89 KDM1A (0.44) MCHR1ADRA2ASLC2A1MAPK8MAPK9
SCHEMBL6868464 0.88 MCHR1 (0.44) MCHR1NPY5RADRA2AMAPK8MAPK9
SCHEMBL6463054 0.88 MCHR1 (0.44) MCHR1NPY5RADRA2AMAPK8MAPK9
SCHEMBL6464818 0.87 SMN1; SMN2 (0.46) MCHR1NPY5RADRA2AMAPK8MAPK9
SCHEMBL6878199 0.87 SMN1; SMN2 (0.46) MCHR1NPY5RADRA2AMAPK8MAPK9
SCHEMBL6829020 0.87 MCHR1 (0.40) MCHR1NPY5RADRA2AMAPK8MAPK9
SCHEMBL6878044 0.87 MCHR1 (0.40) MCHR1NPY5RADRA2AMAPK8MAPK9
SCHEMBL6873584 0.86 MCHR1 (0.42) MCHR1NPY5RADRA2AMAPK8MAPK9

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
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
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 2/4885NPY5R 8/4885ADRA2A 117/4885

“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.