SCHEMBL6458022

SCHEMBL6458022

Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](C(=O)NCc3ccc(F)c(F)c3)CC2)n1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.63
ADRA2A P08913 5/20 0.52
HRH1 P35367 5/20 0.52
ADRA1A P35348 4/20 0.52
HTR2B P41595 4/20 0.52
CNR1 P21554 1/20 0.47
KCNH2 Q12809 1/20 0.47
AURKB Q96GD4 1/20 0.47
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTR1A P08908 1/20 0.42
NPY5R Q15761 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 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
SCHEMBL6458027 1.00 MCHR1 (0.63) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6458494 0.90 MCHR1 (0.64) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6458499 0.90 MCHR1 (0.64) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6457697 0.89 MCHR1 (0.64) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6456617 0.89 MCHR1 (0.64) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6460521 0.88 MCHR1 (0.55) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6460517 0.88 MCHR1 (0.55) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6464691 0.87 MCHR1 (0.63) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6464687 0.87 MCHR1 (0.63) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6457629 0.86 MCHR1 (0.55) MCHR1ADRA2AHRH1ADRA1AHTR2B

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 MCHR1 2/4885ADRA2A 117/4885HRH1 54/4885

“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.