SCHEMBL6459894

SCHEMBL6459894

CN(C)c1ccnc(NC2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 3/20 0.62
MCHR1 Q99705 3/20 0.50
ADRA2A P08913 2/20 0.50
HRH1 P35367 2/20 0.50
HTR2B P41595 2/20 0.50
ADRA1A P35348 1/20 0.50
KMT2A Q03164 1/20 0.48
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6459884 1.00 ATF4 (0.62) ATF4MCHR1ADRA2AHRH1HTR2B
SCHEMBL6455521 0.90 LMNA (0.50) ATF4MCHR1KMT2ALMNAHPGD
SCHEMBL6455514 0.90 LMNA (0.50) ATF4MCHR1KMT2ALMNAHPGD
SCHEMBL6465711 0.89 MCHR1 (0.51) ATF4MCHR1ADRA2AHRH1HTR2B
SCHEMBL6465720 0.89 MCHR1 (0.51) ATF4MCHR1ADRA2AHRH1HTR2B
Hydrochloric Acid SCHEMBL6463029 0.89 MCHR1 (0.50) ATF4MCHR1ADRA2AHRH1HTR2B
SCHEMBL6455704 0.89 MCHR1 (0.52) ATF4MCHR1ADRA2AHRH1HTR2B
Hydrochloric Acid SCHEMBL6463032 0.89 MCHR1 (0.50) ATF4MCHR1ADRA2AHRH1HTR2B
SCHEMBL6455721 0.89 MCHR1 (0.52) ATF4MCHR1ADRA2AHRH1HTR2B
SCHEMBL6879858 0.87 LMNA (0.57) ATF4MCHR1ADRA2AHRH1HTR2B

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 ATF4 1065/4885MCHR1 2/4885ADRA2A 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.