SCHEMBL6459049

SCHEMBL6459049

COc1ccc(CC(=O)NC[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.43
EPHX2 P34913 1/20 0.43
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KCNH2 Q12809 1/20 0.40
AURKB Q96GD4 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CNR2 P34972 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL6459056 1.00 MCHR1 (0.43) MCHR1EPHX2ACHEBACE1L3MBTL1
SCHEMBL6869412 0.89 EPHX2 (0.55) MCHR1EPHX2ACHEBACE1L3MBTL1
SCHEMBL6869407 0.89 EPHX2 (0.55) MCHR1EPHX2ACHEBACE1L3MBTL1
SCHEMBL6455517 0.89 CYP3A4 (0.47) MCHR1CNR1NPC1KCNH2AURKB
SCHEMBL6455512 0.89 CYP3A4 (0.47) MCHR1CNR1NPC1KCNH2AURKB
SCHEMBL6456315 0.89 MCHR1 (0.50) MCHR1ACHEBACE1NPC1RAB9A
SCHEMBL6868664 0.89 MCHR1 (0.50) MCHR1ACHEBACE1NPC1RAB9A
SCHEMBL6456307 0.89 MCHR1 (0.50) MCHR1ACHEBACE1NPC1RAB9A
SCHEMBL6868658 0.89 MCHR1 (0.50) MCHR1ACHEBACE1NPC1RAB9A
SCHEMBL6873825 0.89 MCHR1 (0.45) MCHR1NPC1RAB9AAURKBADRA2A

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 MCHR1 2/4885EPHX2 1053/4885ACHE 197/4885

“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.