SCHEMBL5529138

SCHEMBL5529138

COc1cccc([C@@H](C)NC(=O)[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.60
ADRA2A P08913 14/20 0.60
POLB P06746 1/20 0.56
ROCK2 O75116 1/20 0.54
PRKG1 Q13976 1/20 0.54
NPY5R Q15761 2/20 0.49
HTR1A P08908 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL5529141 1.00 MCHR1 (0.60) MCHR1ADRA2APOLBROCK2PRKG1
SCHEMBL5527405 0.91 MCHR1 (0.59) MCHR1ADRA2APOLBROCK2PRKG1
SCHEMBL4029983 0.91 MCHR1 (0.60) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4029993 0.91 MCHR1 (0.60) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4030230 0.90 MCHR1 (0.57) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4030235 0.90 MCHR1 (0.57) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5530933 0.90 POLB (0.53) MCHR1ADRA2APOLBROCK2PRKG1
SCHEMBL5530931 0.90 POLB (0.53) MCHR1ADRA2APOLBROCK2PRKG1
SCHEMBL4035345 0.84 MCHR1 (0.64) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4035339 0.84 MCHR1 (0.64) MCHR1ADRA2ANPY5RHTR1AADRA1A

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 2 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
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US 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 103/4885POLB 4518/4885

“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.