SCHEMBL4891152

SCHEMBL4891152

CC(C)(C)N(C(=O)O)C1Cc2ncccc2N(CCc2ccc(F)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 2/20 0.36
OPRM1 P35372 4/20 0.36
ALDH1A1 P00352 3/20 0.36
TMEM97 Q5BJF2 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RIPK1 Q13546 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
OPRD1 P41143 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
SCHEMBL4899362 0.91 MEN1 (0.42) ALDH1A1MEN1KMT2ARIPK1CYP1A2
SCHEMBL4899852 0.89 ALDH1A1 (0.41) OPRM1ALDH1A1POLBKDM4EMEN1
SCHEMBL4896111 0.82 NPSR1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL4897407 0.81 CYP1A2 (0.39) ALDH1A1MEN1KMT2ARIPK1CYP1A2
SCHEMBL4897374 0.80 PTGDR2 (0.41) MEN1KMT2A
SCHEMBL4897077 0.79 RIPK1 (0.38) ALDH1A1POLBMEN1KMT2ARIPK1
SCHEMBL4895747 0.79 BRD4 (0.41) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL5418185 0.79 ALDH1A1 (0.40) PARK7ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL4897324 0.77 PARK7 (0.40) PARK7ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL4894380 0.75 MEN1 (0.37) POLBMEN1KMT2ANPC1GAA

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 PARK7 2794/4885OPRM1 3253/4885ALDH1A1 418/4885

“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.