SCHEMBL6459929

SCHEMBL6459929

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.48
MCHR1 Q99705 7/20 0.42
ADRA2A P08913 4/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
SLC6A4 P31645 1/20 0.38
CNR1 P21554 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CNR2 P34972 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 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
SCHEMBL6459933 1.00 NPY5R (0.48) NPY5RMCHR1ADRA2ASLC6A2SLC6A3
SCHEMBL6463049 0.94 MCHR1 (0.45) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6463042 0.94 MCHR1 (0.45) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6464756 0.88 MCHR1 (0.46) NPY5RMCHR1ADRA2ASMN1; SMN2KDM4E
SCHEMBL6464759 0.88 MCHR1 (0.46) NPY5RMCHR1ADRA2ASMN1; SMN2KDM4E
SCHEMBL6464824 0.87 NPY5R (0.58) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6464829 0.87 NPY5R (0.58) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6873544 0.85 NPY5R (0.49) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6873540 0.85 NPY5R (0.49) NPY5RMCHR1ADRA2AACACBACACA
SCHEMBL6878604 0.84 MCHR1 (0.48) NPY5RMCHR1ADRA2AACACBACACA

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 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.