SCHEMBL6456315

SCHEMBL6456315

CN(C)c1ccnc(NC2CCC(CNC(=O)Cc3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.50
ADRA2A P08913 4/20 0.44
HTR2B P41595 4/20 0.44
HRH1 P35367 3/20 0.44
ADRA1A P35348 3/20 0.44
LMNA P02545 1/20 0.44
NPY5R Q15761 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
POLB P06746 1/20 0.39
HTR1A P08908 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
IKBKB O14920 1/20 0.38

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
SCHEMBL6456307 1.00 MCHR1 (0.50) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868658 0.90 MCHR1 (0.50) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868664 0.90 MCHR1 (0.50) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6873830 0.90 MCHR1 (0.45) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6873825 0.90 MCHR1 (0.45) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879858 0.89 LMNA (0.57) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879853 0.89 LMNA (0.57) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6459049 0.89 MCHR1 (0.43) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6459056 0.89 MCHR1 (0.43) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6466440 0.86 MCHR1 (0.61) MCHR1ADRA2AHTR2BHRH1ADRA1A

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 5 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
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 117/4885HTR2B 22/4885

“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.