SCHEMBL5528873

SCHEMBL5528873

CN(C)c1nc(NC[C@@H]2CC[C@H](N)C2)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 14/20 0.66
NPY5R Q15761 14/20 0.66
MCHR1 Q99705 15/20 0.59
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NPY1R P25929 1/20 0.42
AQP1 P29972 1/20 0.42
NPY2R P49146 1/20 0.42
NPY4R P50391 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A4 P31645 1/20 0.41

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
SCHEMBL5528869 1.00 ADRA2A (0.66) ADRA2ANPY5RMCHR1ALDH1A1MAPT
SCHEMBL3938652 0.93 NPY5R (0.72) ADRA2ANPY5RMCHR1ALDH1A1MAPT
SCHEMBL3947114 0.93 NPY5R (0.72) ADRA2ANPY5RMCHR1ALDH1A1MAPT
SCHEMBL3938655 0.93 NPY5R (0.72) ADRA2ANPY5RMCHR1ALDH1A1MAPT
SCHEMBL3946319 0.86 NPY5R (0.72) ADRA2ANPY5RMCHR1ALDH1A1MAPT
SCHEMBL3946322 0.86 NPY5R (0.72) ADRA2ANPY5RMCHR1ALDH1A1MAPT
SCHEMBL14606978 0.84 ADRA2A (0.73) ADRA2ANPY5RMCHR1ALDH1A1MAPT
SCHEMBL14020724 0.84 ADRA2A (0.73) ADRA2ANPY5RMCHR1ALDH1A1MAPT
SCHEMBL14606597 0.84 ADRA2A (0.73) ADRA2ANPY5RMCHR1ALDH1A1MAPT
SCHEMBL14606696 0.83 ADRA2A (0.71) ADRA2ANPY5RMCHR1

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 ADRA2A 103/4885NPY5R 17/4885MCHR1 1/4885

“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.