SCHEMBL4034425

SCHEMBL4034425

COc1ccc(CNC(=O)[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.61
APP P05067 3/20 0.61
BCHE P06276 2/20 0.61
MCHR1 Q99705 14/20 0.57
ADRA2A P08913 13/20 0.57
NPC1 O15118 1/20 0.55
PKM P14618 1/20 0.55
RAB9A P51151 1/20 0.55
TP53 P04637 1/20 0.53
BACE1 P56817 1/20 0.52
NPY5R Q15761 2/20 0.51
HTR1A P08908 1/20 0.51
ADRA1A P35348 1/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51

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
SCHEMBL5524036 1.00 ACHE (0.61) ACHEAPPBCHEMCHR1ADRA2A
SCHEMBL4033383 0.93 MCHR1 (0.56) ACHEAPPBCHEMCHR1ADRA2A
SCHEMBL4033374 0.93 MCHR1 (0.56) ACHEAPPBCHEMCHR1ADRA2A
SCHEMBL5518417 0.91 MCHR1 (0.57) ACHEAPPBCHEMCHR1ADRA2A
SCHEMBL4028347 0.91 MCHR1 (0.57) ACHEAPPBCHEMCHR1ADRA2A
SCHEMBL4036249 0.89 MCHR1 (0.62) MCHR1ADRA2APKMNPY5RHTR1A
SCHEMBL4036244 0.89 MCHR1 (0.62) MCHR1ADRA2APKMNPY5RHTR1A
SCHEMBL4204958 0.88 MCHR1 (0.62) MCHR1ADRA2APKMNPY5RHTR1A
SCHEMBL4204964 0.88 MCHR1 (0.62) MCHR1ADRA2APKMNPY5RHTR1A
SCHEMBL4030923 0.88 MCHR1 (0.69) ACHEAPPBCHEMCHR1ADRA2A

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 ACHE 226/4885APP 1090/4885BCHE 168/4885

“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.