SCHEMBL6465720

SCHEMBL6465720

CN(C)c1ccnc(NC2CCC(NC(=O)COc3ccc(Cl)c(Cl)c3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.51
ADRA2A P08913 3/20 0.51
HRH1 P35367 2/20 0.51
HTR2B P41595 2/20 0.51
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
ATF4 P18848 2/20 0.47
KMT2A Q03164 3/20 0.43
ADRA1A P35348 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.42
CNR1 P21554 1/20 0.41
KCNH2 Q12809 1/20 0.41
AURKB Q96GD4 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6465711 1.00 MCHR1 (0.51) MCHR1ADRA2AHRH1HTR2BHPGD
Hydrochloric Acid SCHEMBL6463029 0.99 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BHPGD
Hydrochloric Acid SCHEMBL6463032 0.99 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BHPGD
SCHEMBL6459884 0.89 ATF4 (0.62) MCHR1ADRA2AHRH1HTR2BHPGD
SCHEMBL6459894 0.89 ATF4 (0.62) MCHR1ADRA2AHRH1HTR2BHPGD
SCHEMBL6455704 0.88 MCHR1 (0.52) MCHR1ADRA2AHRH1HTR2BHPGD
SCHEMBL6455721 0.88 MCHR1 (0.52) MCHR1ADRA2AHRH1HTR2BHPGD
SCHEMBL6875739 0.85 MCHR1 (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875733 0.85 MCHR1 (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6455514 0.85 LMNA (0.50) MCHR1HPGDHTTRAB9AATF4

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 2/4885ADRA2A 117/4885HRH1 54/4885

“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.