SCHEMBL4566797

SCHEMBL4566797

CN(C)c1nc(NC2CCC(C(=O)NC3CCCc4ccccc43)CC2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.54
ADRA2A P08913 13/20 0.54
HTR1A P08908 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
HTR2B P41595 1/20 0.52
NPY5R Q15761 1/20 0.52
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL4566796 1.00 MCHR1 (0.54) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13793876 0.85 MCHR1 (0.69) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4566684 0.84 MCHR1 (0.61) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4566685 0.84 MCHR1 (0.61) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13792891 0.83 MCHR1 (0.67) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5520078 0.82 MCHR1 (0.59) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5520076 0.82 MCHR1 (0.59) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5524181 0.82 MCHR1 (0.54) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5525638 0.82 MCHR1 (0.54) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5524186 0.82 MCHR1 (0.54) 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.