SCHEMBL345715

SCHEMBL345715

CNC(=O)c1cc(COC(=O)NCC2CCN(C(=O)OC(C)(C)C)C2)on1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
IDO1 P14902 2/20 0.43
TDO2 P48775 1/20 0.43
ACKR3 P25106 1/20 0.42
GNRHR P30968 1/20 0.41
USP30 Q70CQ3 2/20 0.41
PIK3CD O00329 1/20 0.39
NAMPT P43490 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
BRD3 Q15059 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL344847 0.88 KMT2A (0.42) MEN1KMT2ANPC1RAB9A
SCHEMBL9994673 0.84 NAMPT (0.47) KDM4EPKMGNRHRNAMPT
SCHEMBL346247 0.79 PKM (0.40) PKMGNRHRNAMPTMEN1KMT2A
SCHEMBL345096 0.77 PKM (0.39) KDM4EPKMGNRHRNAMPTMEN1
SCHEMBL9994514 0.77 NAMPT (0.44) PKMNAMPTMEN1KMT2A
SCHEMBL345746 0.77 SCD5 (0.34) PKMGNRHRUSP30MEN1KMT2A
SCHEMBL12723099 0.77 KDM4E (0.60) KDM4EPKMACKR3NAMPTNPC1
SCHEMBL3272146 0.77 KDM4E (0.60) KDM4EPKMACKR3NAMPTNPC1
SCHEMBL19706814 0.77 KDM4E (0.60) KDM4EPKMACKR3NAMPTNPC1
SCHEMBL2331831 0.75 MEN1 (0.47) KDM4EMEN1KMT2ANPC1RAB9A

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
CN-102216291-B Carbamate derivatives containing alkyl-heterocycles, preparation and therapeutic use thereof 赛诺菲-安万特 2016-08-03 CN disclosed
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A KDM4E 4001/4885PKM 2791/4885IDO1 2646/4885

“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.