SCHEMBL4886170

SCHEMBL4886170

CC(C)(C)N(CC1Cc2cccnc2N(Cc2ccc(F)cc2)C1=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
RIPK1 Q13546 9/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP1 O94782 1/20 0.35
CRHR1 P34998 1/20 0.34
CNR2 P34972 2/20 0.34
HTT P42858 1/20 0.34
F2 P00734 1/20 0.34
CNR1 P21554 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
SCHEMBL4897407 0.83 CYP1A2 (0.39) CYP1A2CYP2C19RIPK1MEN1KMT2A
SCHEMBL5310034 0.81 CYP1A2 (0.41) CYP1A2CYP2C19RIPK1MEN1KMT2A
SCHEMBL5310029 0.81 CYP1A2 (0.41) CYP1A2CYP2C19RIPK1MEN1KMT2A
SCHEMBL4886164 0.76 MEN1 (0.39) CYP1A2CYP2C19RIPK1MEN1KMT2A
SCHEMBL14280805 0.76 SCN9A (0.42) CYP1A2CYP2C19RIPK1KMT2ACNR2
SCHEMBL4894831 0.75 CYP1A2 (0.47) CYP1A2CYP2C19RIPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL4897081 0.74 CYP1A2 (0.44) CYP1A2CYP2C19RIPK1MEN1KMT2A
SCHEMBL5315126 0.73 CYP1A2 (0.41) CYP1A2CYP2C19RIPK1MEN1KMT2A
SCHEMBL4899362 0.72 MEN1 (0.42) CYP1A2CYP2C19RIPK1MEN1KMT2A
SCHEMBL8274287 0.71 RIPK1 (0.41) CYP1A2CYP2C19RIPK1USP1CNR2

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 CYP1A2 313/4885CYP2C19 227/4885RIPK1 3999/4885

“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.