SCHEMBL3267012

SCHEMBL3267012

N#Cc1cccnc1N1CCC(CNC(=O)OCC(N)=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
RECQL P46063 1/20 0.59
LDHA P00338 1/20 0.55
MALT1 Q9UDY8 1/20 0.44
HSD11B1 P28845 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
ACKR3 P25106 1/20 0.42
PANK3 Q9H999 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
KDM1A O60341 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3269140 0.90 KDM4E (0.57) KDM4ERECQLLDHAMALT1HSD11B1
SCHEMBL3270076 0.85 MALT1 (0.42) KDM4ERECQLLDHAMALT1KMT2A
SCHEMBL3265694 0.84 P2RX7 (0.47) KDM4ERECQLLDHADRD2
SCHEMBL1727869 0.83 KDM4E (0.62) KDM4ERECQLLDHAMALT1HSD11B1
SCHEMBL3269145 0.82 P2RX7 (0.46) KDM4ERECQLLDHADRD2
SCHEMBL3270210 0.77 CHRM4 (0.49) PANK3
SCHEMBL3269249 0.77 HTR2C (0.47) DRD2HTR2A
SCHEMBL13622633 0.75 KDM4E (0.66) KDM4ERECQLLDHAMALT1HSD11B1
SCHEMBL2757435 0.75 DPP4 (0.44) MALT1DRD2
SCHEMBL3266163 0.75 SIRT2 (0.44) MALT1

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-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2012-01-05 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-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES CLCN2, CLIC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KDM4E 4402/4885RECQL 2543/4885LDHA 852/4885

“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.