SCHEMBL6457869

SCHEMBL6457869

COc1ccc(CC(=O)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
MCHR1 Q99705 5/20 0.47
ADRA2A P08913 4/20 0.47
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
APP P05067 1/20 0.44
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
CNR1 P21554 1/20 0.41
KCNH2 Q12809 1/20 0.41
AURKB Q96GD4 1/20 0.41
MAPT P10636 2/20 0.41
HRH1 P35367 3/20 0.41

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
SCHEMBL6457880 1.00 EPHX2 (0.55) EPHX2MCHR1ADRA2ASIGMAR1LMNA
SCHEMBL6876346 0.91 MCHR1 (0.50) EPHX2MCHR1ADRA2ASIGMAR1APP
SCHEMBL6876352 0.91 MCHR1 (0.50) EPHX2MCHR1ADRA2ASIGMAR1APP
SCHEMBL6456447 0.90 EPHX2 (0.43) EPHX2MCHR1ADRA2ALMNATHRB
SCHEMBL6456440 0.90 EPHX2 (0.43) EPHX2MCHR1ADRA2ALMNATHRB
SCHEMBL6456764 0.90 POLB (0.48) EPHX2MCHR1ADRA2ASIGMAR1CYP1A2
SCHEMBL6456777 0.90 POLB (0.48) EPHX2MCHR1ADRA2ASIGMAR1CYP1A2
SCHEMBL6455809 0.90 MCHR1 (0.45) EPHX2MCHR1ADRA2ASIGMAR1APP
SCHEMBL6455813 0.90 MCHR1 (0.45) EPHX2MCHR1ADRA2ASIGMAR1APP
SCHEMBL6877138 0.89 EPHX2 (0.48) EPHX2MCHR1ADRA2ASIGMAR1ALDH1A1

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 EPHX2 1053/4885MCHR1 2/4885ADRA2A 117/4885

“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.