SCHEMBL3265528

SCHEMBL3265528

CNC(=O)COC(=O)NCCCN1CCCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.47
PKM P14618 2/20 0.45
KDM4E B2RXH2 1/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
HTR1A P08908 4/20 0.41
KMT2A Q03164 1/20 0.41
ADRB1 P08588 1/20 0.41
CHRM4 P08173 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
SLC6A7 Q99884 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39

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
SCHEMBL2757295 0.88 KDM4E (0.41) KDM4EDRD2DRD3HTR1ATMEM97
SCHEMBL1729313 0.84 PKM (0.55) HDAC6PKMKDM4EDRD2DRD3
SCHEMBL1729003 0.79 PKM (0.48) HDAC6PKMKDM4EDRD2DRD3
SCHEMBL5230775 0.78 MAPT (0.53) HDAC6PKMKDM4EKMT2AADRB1
SCHEMBL3266144 0.77 POLB (0.57) KMT2A
SCHEMBL9893124 0.75 HDAC6 (0.52) HDAC6PKMKDM4EDRD2DRD3
SCHEMBL16480406 0.75 HDAC6 (0.51) HDAC6PKMKDM4EDRD2DRD3
SCHEMBL9891899 0.73 DRD2 (0.58) HDAC6PKMDRD2DRD3HTR1A
SCHEMBL2757301 0.73 MAPT (0.47) PKMKDM4EKMT2A
SCHEMBL2757288 0.72 POLB (0.41) DRD2DRD3KMT2A

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 HDAC6 57/4885PKM 3022/4885KDM4E 4402/4885

“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.