SCHEMBL345096

SCHEMBL345096

CCC1(CCNC(=O)OCc2cc(C(=O)NC)no2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
NAMPT P43490 7/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SCD5 Q86SK9 2/20 0.35
GNRHR P30968 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
SCD O00767 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL346247 0.90 PKM (0.40) PKMNAMPTMEN1KMT2ASCD5
SCHEMBL345501 0.89 KMT2A (0.34) MEN1KMT2ANPC1RAB9A
SCHEMBL346030 0.87 PKM (0.40) PKMNAMPTMEN1KMT2ASCD5
SCHEMBL345746 0.83 SCD5 (0.34) PKMMEN1KMT2ASCD5GNRHR
SCHEMBL9994514 0.79 NAMPT (0.44) PKMNAMPTMEN1KMT2ASCD5
SCHEMBL345709 0.79 ALDH1A1 (0.37) MEN1KMT2ANPC1RAB9A
SCHEMBL9994673 0.79 NAMPT (0.47) PKMNAMPTSCD5GNRHRKDM4E
SCHEMBL345198 0.78 POLB (0.39) MEN1KMT2ASCD5NPC1RAB9A
SCHEMBL345715 0.77 KDM4E (0.46) PKMNAMPTMEN1KMT2AGNRHR
SCHEMBL16161826 0.77 KMT2A (0.34) MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PKM 2791/4885NAMPT 568/4885MEN1 812/4885

“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.