SCHEMBL6464818

SCHEMBL6464818

COc1ccc2ccccc2c1CNC[C@H]1CC[C@@H](Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
ADRA2A P08913 1/20 0.42
NPY5R Q15761 1/20 0.42
MCHR1 Q99705 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 4/20 0.40
HTT P42858 1/20 0.39
ACHE P22303 3/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
APP P05067 1/20 0.37
BCHE P06276 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
BACE1 P56817 1/20 0.37
SIRT2 Q8IXJ6 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
SCHEMBL6878199 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ADRA2ANPY5RMCHR1KDM1A
SCHEMBL6875616 0.89 KDM1A (0.46) SMN1; SMN2ADRA2AMCHR1KDM1AMAOA
SCHEMBL6875610 0.89 KDM1A (0.46) SMN1; SMN2ADRA2AMCHR1KDM1AMAOA
SCHEMBL6457586 0.89 MAPK8 (0.42) ADRA2ANPY5RMCHR1ACHEDRD2
SCHEMBL6877408 0.89 MAPK8 (0.42) ADRA2ANPY5RMCHR1ACHEDRD2
SCHEMBL6455824 0.87 MCHR1 (0.46) ADRA2ANPY5RMCHR1KDM1AMAOA
SCHEMBL6876612 0.87 MCHR1 (0.46) ADRA2ANPY5RMCHR1KDM1AMAOA
SCHEMBL6868672 0.83 CNR1 (0.41) ADRA2ANPY5RMCHR1ACHEDRD2
SCHEMBL6868661 0.83 CNR1 (0.41) ADRA2ANPY5RMCHR1ACHEDRD2
SCHEMBL13793494 0.82 MCHR1 (0.59) ADRA2ANPY5RMCHR1ACHEAPP

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 SMN1; SMN2 1477/4885ADRA2A 117/4885NPY5R 8/4885

“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.