SCHEMBL8276166

SCHEMBL8276166

CCN1C(=O)C(N)Cc2ccncc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 9/20 0.40
KYAT1 Q16773 2/20 0.40
KYAT3 Q6YP21 2/20 0.40
GOT1 P17174 1/20 0.40
HDAC6 Q9UBN7 6/20 0.38
CYP1A2 P05177 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL6763756 0.78 AADAT (0.62) AADATKYAT1KYAT3GOT1
SCHEMBL8276167 0.73 GAA (0.38)
Hydrochloric Acid SCHEMBL6532282 0.71 CYP3A4 (0.39) AADATKYAT1KYAT3GOT1
Hydrochloric Acid SCHEMBL4895788 0.70 ADRA2A (0.43) AADATKYAT1KYAT3GOT1
SCHEMBL4259135 0.70 ALDH1A1 (0.39) AADATKYAT1KYAT3GOT1
SCHEMBL4801630 0.70 AADAT (0.46) AADATKYAT1KYAT3GOT1CYP1A2
Hydrochloric Acid SCHEMBL4259133 0.70 ALDH1A1 (0.38) AADATKYAT1KYAT3GOT1
SCHEMBL4706317 0.68 ALDH1A1 (0.44) AADATKYAT1KYAT3GOT1ADORA3
SCHEMBL8888708 0.68 GSK3B (0.44) AADATKYAT1KYAT3
SCHEMBL14275613 0.67 HTT (0.45) ADORA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
WO-2005123685-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-29 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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 AADAT 1441/4885KYAT1 2886/4885KYAT3 1709/4885

“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.