SCHEMBL6462945

SCHEMBL6462945

CN(C)c1nc(N[C@H]2CC[C@@H](CNC(=O)c3c(Cl)cccc3Cl)CC2)nc2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.51
ADRA2A P08913 10/20 0.47
HTR2B P41595 4/20 0.47
ADRA1A P35348 3/20 0.47
HRH1 P35367 3/20 0.47
HTR1A P08908 1/20 0.45
NPY5R Q15761 3/20 0.42
CNR2 P34972 1/20 0.41
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RX7 Q99572 1/20 0.38

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
SCHEMBL6462949 1.00 MCHR1 (0.51) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6459411 0.94 MCHR1 (0.49) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6459402 0.94 MCHR1 (0.49) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6462580 0.91 MCHR1 (0.57) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6462587 0.91 MCHR1 (0.57) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6874247 0.90 MCHR1 (0.49) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6874253 0.90 MCHR1 (0.49) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL27631579 0.90 MCHR1 (0.50) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6868262 0.90 MCHR1 (0.48) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6868268 0.90 MCHR1 (0.48) MCHR1ADRA2AHTR2BADRA1AHRH1

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 2/4885ADRA2A 117/4885HTR2B 22/4885

“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.