SCHEMBL6463936

SCHEMBL6463936

Cc1cccc(C(C)C)c1NC(=O)NCC1CCC(Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.39
SOAT1 P35610 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPY5R Q15761 2/20 0.37
ADRA2A P08913 2/20 0.37
NMBR P28336 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GRPR P30550 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SOAT2 O75908 1/20 0.35
ACAT1 P24752 1/20 0.35

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
SCHEMBL6463927 1.00 MCHR1 (0.39) MCHR1SOAT1KDM4ELMNASMN1; SMN2
SCHEMBL6457249 0.95 SOAT1 (0.43) MCHR1SOAT1NPY5RADRA2ANMBR
SCHEMBL6457242 0.95 SOAT1 (0.43) MCHR1SOAT1NPY5RADRA2ANMBR
SCHEMBL6875436 0.93 MCHR1 (0.43) MCHR1KDM4ELMNASMN1; SMN2NPY5R
SCHEMBL6875428 0.93 MCHR1 (0.43) MCHR1KDM4ELMNASMN1; SMN2NPY5R
SCHEMBL6464433 0.91 MCHR1 (0.39) MCHR1SOAT1SMN1; SMN2NPY5RADRA2A
SCHEMBL6464427 0.91 MCHR1 (0.39) MCHR1SOAT1SMN1; SMN2NPY5RADRA2A
SCHEMBL6458274 0.89 EPHX1 (0.43) MCHR1KDM4ELMNASMN1; SMN2NPY5R
SCHEMBL6458280 0.89 EPHX1 (0.43) MCHR1KDM4ELMNASMN1; SMN2NPY5R
SCHEMBL6464423 0.89 MCHR1 (0.40) MCHR1KDM4ELMNASMN1; SMN2NPY5R

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
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
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 2/4885SOAT1 4061/4885KDM4E 1190/4885

“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.