SCHEMBL6457077

SCHEMBL6457077

CCOc1cc(OCC)c(OCC)cc1CNC[C@H]1CC[C@@H](Nc2nc3cccc(C)c3c(N)c2C)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.35
ADRA2A P08913 1/20 0.34
NPY5R Q15761 1/20 0.34
MCHR1 Q99705 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
ELANE P08246 2/20 0.33
DRD2 P14416 3/20 0.32
BTK Q06187 3/20 0.32
GPR6 P46095 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CSNK2A1 P68400 1/20 0.31
HRH1 P35367 1/20 0.31
HTR2B P41595 1/20 0.31
MAP4K4 O95819 1/20 0.31
KLKB1 P03952 1/20 0.31

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
SCHEMBL6466799 0.90 APP (0.35) ADRA2ANPY5RMCHR1ELANEGPR6
SCHEMBL6463409 0.81 ADRA2A (0.46) ADRA2ANPY5RMCHR1ELANEGPR6
SCHEMBL6463406 0.81 ADRA2A (0.46) ADRA2ANPY5RMCHR1ELANEGPR6
SCHEMBL6462207 0.80 CD274 (0.41) ELANEMAP4K4
Hydrochloric Acid SCHEMBL6464588 0.80 ADRA2A (0.46) ADRA2ANPY5RMCHR1ELANEGPR6
SCHEMBL6455412 0.75 MCHR1 (0.37) SSTR5ADRA2ANPY5RMCHR1DRD2
SCHEMBL13793702 0.71 MCHR1 (0.64) ADRA2ANPY5RMCHR1HRH1HTR2B
SCHEMBL6876857 0.71 MCHR1 (0.46) SSTR5ADRA2ANPY5RMCHR1DRD2
SCHEMBL6876855 0.71 MCHR1 (0.46) SSTR5ADRA2ANPY5RMCHR1DRD2
SCHEMBL6463643 0.69 ADRA2A (0.54) ADRA2ANPY5RMCHR1GPR6

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
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

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 SSTR5 47/4885ADRA2A 117/4885NPY5R 8/4885

“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.