SCHEMBL4756856

SCHEMBL4756856

CN1C(=O)N(CC(=O)O)C(=O)C1(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
PLA2G7 Q13093 2/20 0.46
TSHR P16473 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
AKR1B1 P15121 1/20 0.40
ATM Q13315 1/20 0.39
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MMP2 P08253 3/20 0.37
MMP3 P08254 2/20 0.37
MMP9 P14780 2/20 0.37
MMP13 P45452 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MMP1 P03956 2/20 0.36
MMP8 P22894 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14009878 0.84 PLA2G7 (0.42) KMT2APLA2G7TSHRMMP2MMP3
SCHEMBL4827863 0.79 PLA2G7 (0.46) KMT2APLA2G7PTGDR2MMP2MMP3
SCHEMBL940892 0.79 PLA2G7 (0.40) KMT2APLA2G7MMP2MMP3MMP9
SCHEMBL7507373 0.79 PLA2G7 (0.40) KMT2APLA2G7MMP2MMP3MMP9
SCHEMBL422413 0.75 PLA2G7 (0.49) KMT2APLA2G7MMP2MMP3MMP9
SCHEMBL419379 0.74 F2 (0.48) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL943431 0.74 PLA2G7 (0.45) PLA2G7ATMMMP2MMP3MMP9
SCHEMBL7974805 0.73 PLA2G7 (0.38) KMT2APLA2G7MMP2MMP3MMP9
SCHEMBL6949966 0.73 PLA2G7 (0.44) KMT2APLA2G7MMP2MMP3MMP9
SCHEMBL12600734 0.72 PLA2G7 (0.46) KMT2APLA2G7MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 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 (2 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 KMT2A 1629/4885PLA2G7 655/4885TSHR 496/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR KMT2A 288/4885PLA2G7 3208/4885TSHR 71/4885

“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.