SCHEMBL5528648

SCHEMBL5528648

CC(C)c1nc(N[C@H]2CC[C@@H](C(=O)O)CC2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 1/20 0.50
NPY5R Q15761 6/20 0.47
APP P05067 2/20 0.45
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
MCHR1 Q99705 11/20 0.45
ADRA2A P08913 10/20 0.45
HTR1A P08908 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL4033618 0.86 NPY5R (0.47) WHR1NPY5RAPPBCHEACHE
SCHEMBL4033615 0.86 NPY5R (0.47) WHR1NPY5RAPPBCHEACHE
SCHEMBL4209993 0.83 NPY5R (0.54) WHR1NPY5RAPPBCHEACHE
Trifluoroacetic Acid SCHEMBL5530304 0.81 EPHX2 (0.57) APPBCHEACHEEPHX2
SCHEMBL4031959 0.81 MCHR1 (0.67) NPY5RMCHR1ADRA2AHTR1AADRA1A
SCHEMBL4031955 0.81 MCHR1 (0.67) NPY5RMCHR1ADRA2AHTR1AADRA1A
SCHEMBL5528649 0.80 NPY5R (0.47) WHR1NPY5RAPPBCHEACHE
SCHEMBL4217522 0.79 EPHX2 (0.51) NPY5RAPPBCHEACHEMCHR1
SCHEMBL4217529 0.79 EPHX2 (0.51) NPY5RAPPBCHEACHEMCHR1
Trifluoroacetic Acid SCHEMBL4201680 0.75 EPHX2 (0.49) NPY5RAPPBCHEACHEMCHR1

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 1 patent. 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 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 WHR1 2082/4885NPY5R 17/4885APP 1090/4885

“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.