SCHEMBL6458798

SCHEMBL6458798

Cc1ccc(NC(=O)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
EPHX1 P07099 2/20 0.51
MCHR1 Q99705 8/20 0.51
ADRA2A P08913 5/20 0.51
HRH1 P35367 4/20 0.51
HTR2B P41595 4/20 0.51
ADRA1A P35348 2/20 0.43
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ADRB2 P07550 1/20 0.41
AURKB Q96GD4 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6458790 1.00 NPC1 (0.51) NPC1RAB9AEPHX1MCHR1ADRA2A
SCHEMBL6876946 0.92 EPHX1 (0.57) NPC1RAB9AEPHX1MCHR1ADRA2A
SCHEMBL6880815 0.91 EPHX1 (0.50) NPC1RAB9AEPHX1MCHR1ADRA2A
SCHEMBL6875456 0.91 EPHX1 (0.50) NPC1RAB9AEPHX1MCHR1ADRA2A
SCHEMBL6465036 0.91 MCHR1 (0.51) NPC1RAB9AEPHX1MCHR1ADRA2A
SCHEMBL6873659 0.91 MCHR1 (0.51) NPC1RAB9AEPHX1MCHR1ADRA2A
SCHEMBL6880820 0.91 EPHX1 (0.50) NPC1RAB9AEPHX1MCHR1ADRA2A
SCHEMBL6465026 0.91 MCHR1 (0.51) NPC1RAB9AEPHX1MCHR1ADRA2A
SCHEMBL6873666 0.91 MCHR1 (0.51) NPC1RAB9AEPHX1MCHR1ADRA2A
SCHEMBL6875450 0.91 EPHX1 (0.50) NPC1RAB9AEPHX1MCHR1ADRA2A

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 NPC1 778/4885RAB9A 1648/4885EPHX1 504/4885

“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.