SCHEMBL4426317

SCHEMBL4426317

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HDAC4 P56524 1/20 0.36
POLB P06746 1/20 0.36
CCR2 P41597 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
KCNA3 P22001 3/20 0.35
ACACB O00763 2/20 0.35
ACACA Q13085 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
DRD2 P14416 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
EGFR P00533 1/20 0.34
PRKACA P17612 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 0.82 POLB (0.39) KMT2AHDAC4POLBCCR2GPR119
SCHEMBL4433820 0.82 SLC6A4 (0.45) SLC6A4SLC6A3KCNA3DRD2
SCHEMBL4433544 0.82 SLC6A4 (0.45) SLC6A4SLC6A3KCNA3DRD2
SCHEMBL14550037 0.82 SLC6A4 (0.45) SLC6A4SLC6A3KCNA3DRD2
SCHEMBL4433548 0.82 SLC6A4 (0.45) SLC6A4SLC6A3KCNA3DRD2
SCHEMBL3900137 0.81 KCNA3 (0.47) SLC6A4MEN1KMT2AKCNA3ALDH1A1
SCHEMBL3908651 0.81 KCNA3 (0.47) SLC6A4MEN1KMT2AKCNA3ALDH1A1
SCHEMBL3900140 0.81 KCNA3 (0.47) SLC6A4MEN1KMT2AKCNA3ALDH1A1
SCHEMBL4437708 0.80 KCNA3 (0.40) HDAC4POLBKCNA3ALDH1A1DRD2
SCHEMBL8240024 0.77 SLC6A3 (0.66) SLC6A4SLC6A3

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 SLC6A4 461/4885SLC6A3 399/4885MEN1 2669/4885

“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.