SCHEMBL6460488

SCHEMBL6460488

CN(C)c1ccnc(NC2CCC(NC(=O)c3cn(Cc4ccccc4)c4ccccc34)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.53
▸ CNR2 P34972 4/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MCHR1 Q99705 2/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ ADRA2A P08913 1/20 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
SCHEMBL6460482 1.00 CNR1 (0.53) CNR1CNR2NPSR1MCHR1HDAC1
SCHEMBL6868191 0.90 P2RX7 (0.45) CNR1CNR2NPSR1MCHR1HDAC1
SCHEMBL6868188 0.90 P2RX7 (0.45) CNR1CNR2NPSR1MCHR1HDAC1
SCHEMBL13792947 0.84 MCHR1 (0.65) CNR1CNR2NPSR1MCHR1ADRA2A
SCHEMBL6876862 0.82 PLK1 (0.50) MCHR1MEN1KMT2AMAPK8MAPK9
SCHEMBL6876863 0.82 PLK1 (0.50) MCHR1MEN1KMT2AMAPK8MAPK9
SCHEMBL6871890 0.80 CNR1 (0.52) CNR1CNR2MCHR1CHRM1ADRA2A
SCHEMBL6871895 0.80 CNR1 (0.52) CNR1CNR2MCHR1CHRM1ADRA2A
SCHEMBL6875196 0.80 CNR1 (0.53) CNR1CNR2NPSR1MCHR1HDAC1
SCHEMBL6875191 0.80 CNR1 (0.53) CNR1CNR2NPSR1MCHR1HDAC1

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 52/4885NPSR1 67/4885

“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.

Send feedback