SCHEMBL6458129

SCHEMBL6458129

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)CCCc3ccc([N+](=O)[O-])cc3)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.44
MCHR1 Q99705 4/20 0.44
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
EPHX1 P07099 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.39
EPHX2 P34913 1/20 0.39
POLB P06746 1/20 0.39
KCNH2 Q12809 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HRH1 P35367 3/20 0.37
HTR2B P41595 3/20 0.37
MAPT P10636 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
ADRA1A P35348 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
SCHEMBL6458136 1.00 ADRA2A (0.44) ADRA2AMCHR1HPGDLMNAEPHX1
SCHEMBL6868116 0.84 MCHR1 (0.56) ADRA2AMCHR1ALDH1A1HRH1HTR2B
SCHEMBL6868112 0.84 MCHR1 (0.56) ADRA2AMCHR1ALDH1A1HRH1HTR2B
SCHEMBL6872955 0.84 MCHR1 (0.40) ADRA2AMCHR1EPHX1ALDH1A1KCNH2
SCHEMBL6872959 0.84 MCHR1 (0.40) ADRA2AMCHR1EPHX1ALDH1A1KCNH2
SCHEMBL13794629 0.84 MCHR1 (0.63) ADRA2AMCHR1CYP1A2CYP3A4CYP2C9
SCHEMBL6874339 0.84 ADRA2A (0.44) ADRA2AMCHR1EPHX1ALDH1A1HRH1
SCHEMBL7043626 0.83 MCHR1 (0.44) ADRA2AMCHR1EPHX1EPHX2HRH1
SCHEMBL7043623 0.83 MCHR1 (0.44) ADRA2AMCHR1EPHX1EPHX2HRH1
SCHEMBL6875905 0.81 MCHR1 (0.42) ADRA2AMCHR1HRH1HTR2BMAPT

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 ADRA2A 117/4885MCHR1 2/4885HPGD 2310/4885

“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.