SCHEMBL4887310

SCHEMBL4887310

CCN1C(=O)C(N(C(=O)O)C(C)(C)C)Cc2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.37
ADRA2B P18089 3/20 0.37
ADRA2C P18825 3/20 0.37
RIPK1 Q13546 6/20 0.34
MTNR1A P48039 1/20 0.32
CHIA Q9BZP6 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
STAT6 P42226 1/20 0.31

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
SCHEMBL4895013 0.88 CRHR1 (0.39) ADRA2AADRA2BADRA2CRIPK1KMT2A
SCHEMBL3774144 0.85 KMT2A (0.34) RIPK1MTNR1AKMT2AGAA
SCHEMBL4889310 0.85 RIPK1 (0.41) RIPK1MTNR1AKMT2A
SCHEMBL4897407 0.84 CYP1A2 (0.39) RIPK1KMT2AMEN1ALDH1A1GAA
SCHEMBL4897077 0.73 RIPK1 (0.38) RIPK1KMT2AMEN1ALDH1A1GAA
SCHEMBL4895917 0.73 GSK3B (0.37)
Hydrochloric Acid SCHEMBL4895788 0.73 ADRA2A (0.43) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL4899362 0.72 MEN1 (0.42) RIPK1KMT2AMEN1ALDH1A1GAA
SCHEMBL4896111 0.71 NPSR1 (0.41) KMT2AMEN1KCNH2ALDH1A1
SCHEMBL5310034 0.71 CYP1A2 (0.41) RIPK1KMT2AMEN1ALDH1A1GAA

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 ADRA2A 631/4885ADRA2B 455/4885ADRA2C 224/4885

“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.