SCHEMBL4437708

SCHEMBL4437708

Cc1cccc(C2(CNC(=O)OC(C)(C)C)CCC(=O)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 6/20 0.40
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
HDAC4 P56524 1/20 0.37
POLB P06746 1/20 0.37
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
DRD2 P14416 1/20 0.35
ATM Q13315 2/20 0.35
MAPT P10636 2/20 0.35
ABHD10 Q9NUJ1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
EPHX2 P34913 1/20 0.34
KDM4A O75164 1/20 0.34

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
SCHEMBL4433244 0.83 POLB (0.39) DDB1CRBNHDAC4POLBDRD2
SCHEMBL4428524 0.81 KCNA3 (0.58) KCNA3DRD2KDM4E
SCHEMBL21158211 0.80 KCNA3 (0.59) KCNA3ALDH1A1
SCHEMBL4426317 0.80 SLC6A4 (0.37) KCNA3HDAC4POLBDRD2ATM
SCHEMBL13818196 0.78 KCNA3 (0.44) KCNA3ALDH1A1KDM4A
SCHEMBL18563752 0.77 BACE1 (0.44) POLBDRD2ALDH1A1GAAKDM4A
SCHEMBL30005228 0.76 ALDH1A1 (0.50) POLBDRD2ALDH1A1GAAKDM4A
SCHEMBL23705025 0.74 P2RY14 (0.47) KCNA3ALDH1A1GAAKDM4A
SCHEMBL23704906 0.73 ALDH1A1 (0.45) KCNA3ALDH1A1GAAKDM4A
SCHEMBL8190223 0.72 SLC6A4 (0.60) KCNA3DRD2MAPTALDH1A1

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 5 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
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 KCNA3 1364/4885DDB1 2085/4885CRBN 2859/4885

“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.