SCHEMBL6456592

SCHEMBL6456592

CN(C)c1ccnc(NC2CCC(NC(=O)c3cccnc3Oc3ccc(F)cc3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.51
CNR2 P34972 3/20 0.51
MCHR1 Q99705 4/20 0.49
ADRA2A P08913 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
KMT2A Q03164 1/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6456587 1.00 CNR1 (0.51) CNR1CNR2MCHR1ADRA2AADRA1A
Hydrochloric Acid SCHEMBL6456384 0.99 CNR1 (0.50) CNR1CNR2MCHR1ADRA2AADRA1A
Hydrochloric Acid SCHEMBL6456376 0.99 CNR1 (0.50) CNR1CNR2MCHR1ADRA2AADRA1A
SCHEMBL6458161 0.92 L3MBTL1 (0.53) CNR1CNR2MCHR1ADRA2AADRA1A
SCHEMBL6458151 0.92 L3MBTL1 (0.53) CNR1CNR2MCHR1ADRA2AADRA1A
SCHEMBL6467666 0.92 CNR2 (0.48) CNR1CNR2MCHR1KMT2AL3MBTL1
SCHEMBL6467672 0.92 CNR2 (0.48) CNR1CNR2MCHR1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL6455591 0.91 CNR2 (0.48) CNR1CNR2MCHR1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL6455599 0.91 CNR2 (0.48) CNR1CNR2MCHR1KMT2AL3MBTL1
SCHEMBL6458450 0.85 MCHR1 (0.67) CNR1CNR2MCHR1ADRA2AADRA1A

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 CNR1 77/4885CNR2 52/4885MCHR1 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.