SCHEMBL6457420

SCHEMBL6457420

C=CCOc1ccccc1CNC[C@H]1CC[C@@H](Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.43
ADRA2A P08913 2/20 0.43
NPY5R Q15761 2/20 0.43
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 1/20 0.35
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 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
SCHEMBL6877348 1.00 MCHR1 (0.43) MCHR1ADRA2ANPY5RHTR2AHTR2C
SCHEMBL6875398 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RALDH1A1MEN1
SCHEMBL6462999 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RALDH1A1MEN1
SCHEMBL6878836 0.85 MCHR1 (0.57) MCHR1ADRA2ANPY5RDRD2DRD3
SCHEMBL6878830 0.85 MCHR1 (0.57) MCHR1ADRA2ANPY5RDRD2DRD3
SCHEMBL6875956 0.85 MCHR1 (0.46) MCHR1ADRA2ANPY5RHTR2BMEN1
SCHEMBL6875950 0.85 MCHR1 (0.46) MCHR1ADRA2ANPY5RHTR2BMEN1
SCHEMBL6874708 0.83 MCHR1 (0.42) MCHR1ADRA2ANPY5RHTR2BMEN1
SCHEMBL6873498 0.83 MCHR1 (0.42) MCHR1ADRA2ANPY5RHTR2BMEN1
SCHEMBL6874714 0.83 MCHR1 (0.42) MCHR1ADRA2ANPY5RHTR2BMEN1

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 5 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
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 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 117/4885NPY5R 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.