SCHEMBL6460359

SCHEMBL6460359

CN(C)c1cc(NC2CCC(NC(=O)Nc3cccc4ccccc34)CC2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.55
KDM4E B2RXH2 7/20 0.49
SIGMAR1 Q99720 1/20 0.49
PAK1 Q13153 1/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
MCHR1 Q99705 5/20 0.44
ADRA2A P08913 4/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
DPP4 P27487 3/20 0.42
PREP P48147 3/20 0.42
DPP7 Q9UHL4 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 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
SCHEMBL6460357 1.00 EPHX1 (0.55) EPHX1KDM4ESIGMAR1PAK1MAPT
SCHEMBL6880627 0.90 RXFP1 (0.49) EPHX1KDM4ELMNAMCHR1ADRA2A
SCHEMBL6880619 0.90 RXFP1 (0.49) EPHX1KDM4ELMNAMCHR1ADRA2A
SCHEMBL6877576 0.90 RXFP1 (0.45) EPHX1KDM4ELMNAMCHR1ADRA2A
SCHEMBL6877566 0.90 RXFP1 (0.45) EPHX1KDM4ELMNAMCHR1ADRA2A
SCHEMBL6877694 0.89 MCHR1 (0.43) EPHX1KDM4ELMNAMCHR1ADRA2A
SCHEMBL6878207 0.89 MCHR1 (0.44) EPHX1KDM4ELMNAMCHR1ADRA2A
SCHEMBL6462318 0.89 RAB9A (0.50) EPHX1PAK1MCHR1ADRA2ARAB9A
SCHEMBL6877686 0.89 MCHR1 (0.43) EPHX1KDM4ELMNAMCHR1ADRA2A
SCHEMBL6462316 0.89 RAB9A (0.50) EPHX1PAK1MCHR1ADRA2ARAB9A

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 EPHX1 504/4885KDM4E 1190/4885SIGMAR1 283/4885

“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.