SCHEMBL5531392

SCHEMBL5531392

Cc1ccc(-c2nc3ccccn3c2CC(=O)N(C)C)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.76
GABRB2 P47870 5/20 0.76
KDM4E B2RXH2 2/20 0.76
LMNA P02545 1/20 0.76
ALB P02768 1/20 0.76
CYP3A4 P08684 1/20 0.76
CHRM1 P11229 1/20 0.76
HPGD P15428 1/20 0.76
GABRB1 P18505 1/20 0.76
GABRG2 P18507 1/20 0.76
GABRB3 P28472 1/20 0.76
GABRA3 P34903 1/20 0.76
ADRA1A P35348 1/20 0.76
OPRK1 P41145 1/20 0.76
HTR2B P41595 1/20 0.76
GABRA2 P47869 1/20 0.76
KCNH2 Q12809 1/20 0.76
HSD17B10 Q99714 1/20 0.76
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL16922185 1.00 GABRA1 (0.76) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL13341897 0.91 GABRB2 (0.62) GABRA1GABRB2KDM4ELMNAALB
Zolpidem SCHEMBL5606185 0.86 GABRB2 (1.00) GABRA1GABRB2KDM4ELMNAALB
Zolpidem SCHEMBL80516 0.86 GABRB2 (1.00) GABRA1GABRB2KDM4ELMNAALB
Zolpidem SCHEMBL15169819 0.85 GABRB2 (0.97) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL5630676 0.85 GABRA1 (0.72) GABRA1GABRB2KDM4ELMNAALB
Zolpidem SCHEMBL2065026 0.85 GABRB2 (0.97) GABRA1GABRB2KDM4ELMNAALB
Zolpidem SCHEMBL2064875 0.85 GABRB2 (0.97) GABRA1GABRB2KDM4ELMNAALB
Zolpidem SCHEMBL28577249 0.85 GABRB2 (0.97) GABRA1GABRB2KDM4ELMNAALB
Zolpidem SCHEMBL5766080 0.85 GABRB2 (0.97) GABRA1GABRB2KDM4ELMNAALB

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-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION Sunovion Inc. (US) 2012-05-17 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-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C GABRA1 46/4885GABRB2 58/4885KDM4E 634/4885

“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.