SCHEMBL4433244

SCHEMBL4433244

Cc1cccc(C2(CNC(=O)OC(C)(C)C)CC=CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
HDAC4 P56524 1/20 0.38
MAPT P10636 2/20 0.37
ATM Q13315 2/20 0.37
KDM4A O75164 1/20 0.37
NQO2 P16083 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
IDO1 P14902 1/20 0.36
DRD2 P14416 1/20 0.35
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ABHD10 Q9NUJ1 1/20 0.35
EPHX2 P34913 1/20 0.35
JAK2 O60674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4437708 0.83 KCNA3 (0.40) POLBHDAC4MAPTATMKDM4A
SCHEMBL4426317 0.82 SLC6A4 (0.37) POLBHDAC4MAPTATMDRD2
SCHEMBL30005228 0.78 ALDH1A1 (0.50) POLBKDM4ADRD2NPSR1ALDH1A1
SCHEMBL23705025 0.76 P2RY14 (0.47) KDM4AIDO1NPSR1ALDH1A1LMNA
SCHEMBL2674512 0.75 ALDH1A1 (0.42) KDM4ANQO2IDO1DRD2NPSR1
SCHEMBL23704906 0.75 ALDH1A1 (0.45) KDM4ANPSR1TDP1ALDH1A1LMNA
SCHEMBL13809350 0.74 KDM4A (0.36) KDM4ANQO2IDO1DRD2DDB1
SCHEMBL8190223 0.74 SLC6A4 (0.60) MAPTDRD2ALDH1A1LMNA
SCHEMBL18563739 0.74 ALDH1A1 (0.44) POLBKDM4AIDO1DRD2NPSR1
SCHEMBL4428524 0.72 KCNA3 (0.58) IDO1DRD2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 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-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 POLB 2463/4885HDAC4 560/4885MAPT 3625/4885

“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.