SCHEMBL6458993

SCHEMBL6458993

CCOC(=O)C(CC(C)C)NC(=O)NC[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.40
PPID Q08752 1/20 0.38
ADRA2A P08913 6/20 0.38
HTR2B P41595 5/20 0.38
HRH1 P35367 4/20 0.38
ADRA1A P35348 3/20 0.38
HTR1A P08908 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPR3 P17342 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPY5R Q15761 1/20 0.34
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL6458998 1.00 MCHR1 (0.40) MCHR1PPIDADRA2AHTR2BHRH1
SCHEMBL6459003 1.00 MCHR1 (0.40) MCHR1PPIDADRA2AHTR2BHRH1
SCHEMBL6875598 0.90 CYP2C9 (0.40) MCHR1PPIDADRA2AHTR2BHRH1
SCHEMBL6875589 0.90 CYP2C9 (0.40) MCHR1PPIDADRA2AHTR2BHRH1
SCHEMBL6875594 0.90 CYP2C9 (0.40) MCHR1PPIDADRA2AHTR2BHRH1
SCHEMBL5530254 0.82 MCHR1 (0.52) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL5530257 0.82 MCHR1 (0.52) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL5530248 0.82 MCHR1 (0.52) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6880637 0.80 MCHR1 (0.49) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6880629 0.80 MCHR1 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885PPID 3305/4885ADRA2A 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.