SCHEMBL4897374

SCHEMBL4897374

CC(C)(C)N(C(=O)O)C1Cc2ncccc2N(Cc2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
KCNN4 O15554 4/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AMPD2 Q01433 1/20 0.38
HCRTR1 O43613 6/20 0.38
HCRTR2 O43614 5/20 0.38
CHRM5 P08912 2/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
ENPP2 Q13822 1/20 0.38
CYP3A4 P08684 1/20 0.37
AADAT Q8N5Z0 1/20 0.37

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
SCHEMBL4896111 0.88 NPSR1 (0.41) PTGDR2KCNN4DRD2DRD4MEN1
SCHEMBL4899362 0.88 MEN1 (0.42) PTGDR2MEN1KMT2ACYP3A4
SCHEMBL4895747 0.83 BRD4 (0.41) PTGDR2KCNN4MEN1KMT2AENPP2
SCHEMBL4899852 0.82 ALDH1A1 (0.41) MEN1KMT2A
SCHEMBL4891152 0.80 PARK7 (0.36) MEN1KMT2A
SCHEMBL4894380 0.79 MEN1 (0.37) MEN1KMT2A
SCHEMBL4897077 0.76 RIPK1 (0.38) MEN1KMT2A
SCHEMBL4897407 0.76 CYP1A2 (0.39) MEN1KMT2ACYP3A4
SCHEMBL4892448 0.74 SCN9A (0.38) PTGDR2HCRTR1HCRTR2EDNRBEDNRA
SCHEMBL4887310 0.69 ADRA2A (0.37) MEN1KMT2ACYP3A4

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-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

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 PTGDR2 2658/4885KCNN4 642/4885DRD2 720/4885

“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.