SCHEMBL6458161

SCHEMBL6458161

Cc1ccc(Oc2ncccc2C(=O)NC2CCC(Nc3nccc(N(C)C)n3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.48
MCHR1 Q99705 8/20 0.46
ADRA2A P08913 3/20 0.46
HRH1 P35367 3/20 0.46
HTR2B P41595 3/20 0.46
CNR1 P21554 2/20 0.43
KCNH2 Q12809 1/20 0.43
AURKB Q96GD4 1/20 0.43
PDE10A Q9Y233 1/20 0.43
CNR2 P34972 1/20 0.43
ADRA1A P35348 2/20 0.42

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
SCHEMBL6458151 1.00 L3MBTL1 (0.53) L3MBTL1GAAMCHR1ADRA2AHRH1
SCHEMBL6467666 0.93 CNR2 (0.48) L3MBTL1GAAMCHR1CNR1KCNH2
SCHEMBL6467672 0.93 CNR2 (0.48) L3MBTL1GAAMCHR1CNR1KCNH2
SCHEMBL6456587 0.92 CNR1 (0.51) L3MBTL1MCHR1ADRA2AHRH1HTR2B
SCHEMBL6456592 0.92 CNR1 (0.51) L3MBTL1MCHR1ADRA2AHRH1HTR2B
Hydrochloric Acid SCHEMBL6455591 0.92 CNR2 (0.48) L3MBTL1GAAMCHR1CNR1KCNH2
Hydrochloric Acid SCHEMBL6455599 0.92 CNR2 (0.48) L3MBTL1GAAMCHR1CNR1KCNH2
Hydrochloric Acid SCHEMBL6456376 0.91 CNR1 (0.50) L3MBTL1MCHR1ADRA2AHRH1HTR2B
Hydrochloric Acid SCHEMBL6456384 0.91 CNR1 (0.50) L3MBTL1MCHR1ADRA2AHRH1HTR2B
SCHEMBL6467374 0.83 MCHR1 (0.61) MCHR1ADRA2AHRH1HTR2BCNR1

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 6 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
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 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 L3MBTL1 3949/4885GAA 484/4885MCHR1 2/4885

“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.