SCHEMBL6456938

SCHEMBL6456938

COc1cc(CC(=O)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc(OC)c1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.41
ADRA2A P08913 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.38
KCNH2 Q12809 1/20 0.38
AURKB Q96GD4 1/20 0.38
EPHX2 P34913 1/20 0.38
HRH1 P35367 4/20 0.37
HTR2B P41595 4/20 0.37
SIGMAR1 Q99720 2/20 0.37
APP P05067 1/20 0.37
ADRA1A P35348 2/20 0.37
EHMT2 Q96KQ7 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL6456953 1.00 MCHR1 (0.41) MCHR1ADRA2ASMN1; SMN2L3MBTL1CNR1
SCHEMBL6878654 0.91 SIGMAR1 (0.47) MCHR1ADRA2ASMN1; SMN2SIGMAR1APP
SCHEMBL6878649 0.91 SIGMAR1 (0.47) MCHR1ADRA2ASMN1; SMN2SIGMAR1APP
SCHEMBL6876346 0.89 MCHR1 (0.50) MCHR1ADRA2ACNR1KCNH2AURKB
SCHEMBL6876352 0.89 MCHR1 (0.50) MCHR1ADRA2ACNR1KCNH2AURKB
SCHEMBL6457880 0.86 EPHX2 (0.55) MCHR1ADRA2ASMN1; SMN2L3MBTL1CNR1
SCHEMBL6457869 0.86 EPHX2 (0.55) MCHR1ADRA2ASMN1; SMN2L3MBTL1CNR1
SCHEMBL6458932 0.86 ALDH1A1 (0.41) MCHR1ADRA2AAPPEHMT2KDM4E
SCHEMBL6458901 0.86 ALDH1A1 (0.41) MCHR1ADRA2AAPPEHMT2KDM4E
SCHEMBL6878081 0.84 SIGMAR1 (0.47) MCHR1ADRA2AL3MBTL1SIGMAR1APP

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 MCHR1 2/4885ADRA2A 117/4885SMN1; SMN2 1477/4885

“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.