SCHEMBL6457249

SCHEMBL6457249

CC(C)c1cccc(C(C)C)c1NC(=O)NCC1CCC(Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 4/20 0.43
MCHR1 Q99705 2/20 0.41
NMBR P28336 3/20 0.41
GRPR P30550 1/20 0.40
NPY5R Q15761 2/20 0.39
ADRA2A P08913 1/20 0.39
SOAT2 O75908 1/20 0.39
ACAT1 P24752 1/20 0.39

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
SCHEMBL6457242 1.00 SOAT1 (0.43) SOAT1MCHR1NMBRGRPRNPY5R
SCHEMBL6463936 0.95 MCHR1 (0.39) SOAT1MCHR1NMBRGRPRNPY5R
SCHEMBL6463927 0.95 MCHR1 (0.39) SOAT1MCHR1NMBRGRPRNPY5R
SCHEMBL6464427 0.94 MCHR1 (0.39) SOAT1MCHR1NMBRGRPRNPY5R
SCHEMBL6464433 0.94 MCHR1 (0.39) SOAT1MCHR1NMBRGRPRNPY5R
SCHEMBL6875482 0.92 MCHR1 (0.41) SOAT1MCHR1NMBRGRPRNPY5R
SCHEMBL6875486 0.92 MCHR1 (0.41) SOAT1MCHR1NMBRGRPRNPY5R
SCHEMBL6875428 0.89 MCHR1 (0.43) MCHR1NPY5RADRA2A
SCHEMBL6875436 0.89 MCHR1 (0.43) MCHR1NPY5RADRA2A
SCHEMBL6868236 0.88 NPY5R (0.43) MCHR1NPY5RADRA2A

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 SOAT1 4061/4885MCHR1 2/4885NMBR 786/4885

“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.