SCHEMBL6464429

SCHEMBL6464429

COc1cc(CN[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)cc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MCHR1 Q99705 12/20 0.48
ADRA2A P08913 7/20 0.48
HTR2B P41595 6/20 0.48
HRH1 P35367 5/20 0.48
ADRA1A P35348 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
HTR1A P08908 1/20 0.46
CNR1 P21554 1/20 0.40
KCNH2 Q12809 1/20 0.40
AURKB Q96GD4 1/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
GAS6 Q14393 1/20 0.40
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
IGF1R P08069 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
SCHEMBL6877606 1.00 TSHR (0.50) TSHRALDH1A1MCHR1ADRA2AHTR2B
SCHEMBL6877675 0.85 MCHR1 (0.62) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875844 0.85 MCHR1 (0.48) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875836 0.85 MCHR1 (0.48) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879241 0.82 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879245 0.82 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6462936 0.81 ALDH1A1 (0.51) TSHRALDH1A1MCHR1ADRA2AL3MBTL1
SCHEMBL6873997 0.81 ALDH1A1 (0.51) TSHRALDH1A1MCHR1ADRA2AL3MBTL1
SCHEMBL6875280 0.81 MCHR1 (0.50) ALDH1A1MCHR1ADRA2AHTR2BHRH1
SCHEMBL6875273 0.81 MCHR1 (0.50) ALDH1A1MCHR1ADRA2AHTR2BHRH1

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
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 TSHR 156/4885ALDH1A1 2036/4885MCHR1 2/4885

“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.