SCHEMBL6463263

SCHEMBL6463263

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)Nc3ccccc3C(C)(C)C)CC2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.42
NPY5R Q15761 6/20 0.41
ADRA2A P08913 3/20 0.41
ACACB O00763 8/20 0.39
ACACA Q13085 6/20 0.39
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACP1 P24666 1/20 0.36
MAPT P10636 1/20 0.36
S1PR1 P21453 1/20 0.36
OPRD1 P41143 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6463269 1.00 MCHR1 (0.42) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6867914 0.92 ACP1 (0.44) MCHR1NPY5RADRA2AKDM4EACP1
SCHEMBL6867920 0.92 ACP1 (0.44) MCHR1NPY5RADRA2AKDM4EACP1
SCHEMBL6467746 0.90 MCHR1 (0.40) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6467739 0.90 MCHR1 (0.40) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6867313 0.90 KDM4E (0.43) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6867311 0.90 KDM4E (0.43) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6878561 0.89 P2RY1 (0.43) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6878565 0.89 P2RY1 (0.43) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6878430 0.89 NPY5R (0.43) MCHR1NPY5RADRA2AACACBACACA

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 2/4885NPY5R 8/4885ADRA2A 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.