SCHEMBL6458114

SCHEMBL6458114

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)Cc3c(Cl)ccc(Cl)c3Cl)CC2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.42
MCHR1 Q99705 7/20 0.41
ADRA2A P08913 4/20 0.41
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.35
NAPEPLD Q6IQ20 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL6458118 1.00 NPY5R (0.42) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6463209 0.90 MCHR1 (0.47) NPY5RMCHR1ADRA2AKDM4ELMNA
SCHEMBL6463213 0.90 MCHR1 (0.47) NPY5RMCHR1ADRA2AKDM4ELMNA
SCHEMBL6879386 0.87 MCHR1 (0.47) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6879382 0.87 MCHR1 (0.47) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6873544 0.86 NPY5R (0.49) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6873540 0.86 NPY5R (0.49) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6873100 0.84 ACACB (0.47) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6873098 0.84 ACACB (0.47) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL13793588 0.84 MCHR1 (0.57) NPY5RMCHR1ADRA2A

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 6 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
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 NPY5R 8/4885MCHR1 2/4885ADRA2A 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.