SCHEMBL6462385

SCHEMBL6462385

COc1cc(Br)cc(CNC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 8/20 0.45
MCHR1 Q99705 8/20 0.45
NPY5R Q15761 3/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 3/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
EHMT2 Q96KQ7 3/20 0.33

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
SCHEMBL6462370 1.00 ADRA2A (0.45) ADRA2AMCHR1NPY5RKDM4EALDH1A1
SCHEMBL6456916 0.91 MCHR1 (0.48) ADRA2AMCHR1NPY5RGAAEHMT2
SCHEMBL6456909 0.91 MCHR1 (0.48) ADRA2AMCHR1NPY5RGAAEHMT2
SCHEMBL6458901 0.86 ALDH1A1 (0.41) ADRA2AMCHR1KDM4EALDH1A1MEN1
SCHEMBL6458932 0.86 ALDH1A1 (0.41) ADRA2AMCHR1KDM4EALDH1A1MEN1
SCHEMBL6463374 0.82 TRPV1 (0.38) ADRA2AMCHR1KDM4EALDH1A1MEN1
SCHEMBL6875645 0.82 TRPV1 (0.38) ADRA2AMCHR1KDM4EALDH1A1MEN1
SCHEMBL13797409 0.82 MCHR1 (0.67) ADRA2AMCHR1NPY5R
SCHEMBL6874187 0.81 ADRA2A (0.45) ADRA2AMCHR1KDM4EALDH1A1MEN1
SCHEMBL6874201 0.81 ADRA2A (0.45) ADRA2AMCHR1KDM4EALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADRA2A 117/4885MCHR1 2/4885NPY5R 8/4885

“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.