SCHEMBL6464258

SCHEMBL6464258

CN(C)c1cc(NC2CCC(CNC(=O)c3c(Cl)cccc3Cl)CC2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.45
ACACB O00763 2/20 0.44
ACACA Q13085 1/20 0.44
MCHR1 Q99705 8/20 0.44
ADRA2A P08913 4/20 0.44
P2RX7 Q99572 4/20 0.42
NAPEPLD Q6IQ20 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6464256 1.00 NPY5R (0.45) NPY5RACACBACACAMCHR1ADRA2A
SCHEMBL6876778 0.94 MCHR1 (0.43) NPY5RACACBACACAMCHR1ADRA2A
SCHEMBL6876783 0.94 MCHR1 (0.43) NPY5RACACBACACAMCHR1ADRA2A
SCHEMBL6463492 0.94 NPY5R (0.47) NPY5RACACBACACAMCHR1ADRA2A
SCHEMBL6463499 0.94 NPY5R (0.47) NPY5RACACBACACAMCHR1ADRA2A
SCHEMBL6873098 0.90 ACACB (0.47) NPY5RACACBACACAMCHR1ADRA2A
SCHEMBL6873100 0.90 ACACB (0.47) NPY5RACACBACACAMCHR1ADRA2A
SCHEMBL6875578 0.90 MCHR1 (0.47) NPY5RACACBACACAMCHR1ADRA2A
SCHEMBL6875585 0.90 MCHR1 (0.47) NPY5RACACBACACAMCHR1ADRA2A
SCHEMBL6876773 0.89 MCHR1 (0.46) NPY5RACACBACACAMCHR1ADRA2A

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 8/4885ACACB 3035/4885ACACA 2602/4885

“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.