SCHEMBL4028034

SCHEMBL4028034

CCOc1ccc(NC(=O)N[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.59
ADRA2A P08913 13/20 0.59
HTR1A P08908 1/20 0.54
ADRA1A P35348 1/20 0.54
HRH1 P35367 1/20 0.54
HTR2B P41595 1/20 0.54
NPY5R Q15761 1/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL4028042 1.00 MCHR1 (0.59) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4032434 0.90 MCHR1 (0.61) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4032433 0.90 MCHR1 (0.61) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5527344 0.90 MCHR1 (0.69) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5527355 0.90 MCHR1 (0.69) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4032107 0.89 MCHR1 (0.67) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4032102 0.89 MCHR1 (0.67) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5524074 0.88 MCHR1 (0.59) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5524078 0.88 MCHR1 (0.59) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4033597 0.88 MCHR1 (0.60) MCHR1ADRA2AHTR1AADRA1AHRH1

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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US claimed
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 MCHR1 1/4885ADRA2A 103/4885HTR1A 61/4885

“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.