SCHEMBL6459234

SCHEMBL6459234

CN(C)c1nc(NC2CCC(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)nc2c1CCCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
ADRA2A P08913 1/20 0.53
MCHR1 Q99705 1/20 0.53
MAPT P10636 10/20 0.47
ALDH1A1 P00352 8/20 0.47
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 7/20 0.47
THRB P10828 1/20 0.44
RAC1 P63000 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 4/20 0.43
MAPK1 P28482 4/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL6459229 1.00 NPC1 (0.62) NPC1RAB9AADRA2AMCHR1MAPT
SCHEMBL13793198 0.86 MCHR1 (0.73) NPC1RAB9AADRA2AMCHR1MAPT
SCHEMBL6458601 0.85 MCHR1 (0.71) ADRA2AMCHR1KMT2A
SCHEMBL6462789 0.85 MCHR1 (0.71) ADRA2AMCHR1KMT2A
Hydrochloric Acid SCHEMBL6459622 0.85 MCHR1 (0.70) ADRA2AMCHR1KMT2A
Hydrochloric Acid SCHEMBL6459631 0.85 MCHR1 (0.70) ADRA2AMCHR1KMT2A
SCHEMBL6457673 0.84 MITF (0.48) ADRA2AMCHR1GAAL3MBTL1KDM4E
SCHEMBL6462071 0.84 MITF (0.48) ADRA2AMCHR1GAAL3MBTL1KDM4E
SCHEMBL6457772 0.82 NPC1 (0.47) NPC1RAB9AADRA2AMCHR1MAPT
SCHEMBL6457767 0.82 NPC1 (0.47) NPC1RAB9AADRA2AMCHR1MAPT

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 4 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
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 NPC1 778/4885RAB9A 1648/4885ADRA2A 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.