SCHEMBL6458642

SCHEMBL6458642

CN(C)c1ccnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MCHR1 Q99705 8/20 0.45
ADRA2A P08913 3/20 0.45
HRH1 P35367 3/20 0.45
HTR2B P41595 3/20 0.45
ADRA1A P35348 1/20 0.45
ALDH1A1 P00352 1/20 0.43
PDE7A Q13946 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6458647 1.00 NPC1 (0.47) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL6464741 0.91 NPC1 (0.47) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL6464736 0.91 NPC1 (0.47) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL6875511 0.91 MCHR1 (0.46) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL6875513 0.91 MCHR1 (0.46) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL6457527 0.83 NPC1 (0.59) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL6457518 0.83 NPC1 (0.59) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL6873129 0.82 PDE7A (0.47) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL6873126 0.82 PDE7A (0.47) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL6458106 0.82 NPC1 (0.47) NPC1RAB9AMCHR1ADRA2AHRH1

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 NPC1 778/4885RAB9A 1648/4885MCHR1 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.