SCHEMBL346015

SCHEMBL346015

NCCC1CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.58
RBP4 P02753 1/20 0.57
CHRM4 P08173 1/20 0.52
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.46
DKK1 O94907 1/20 0.46
HTR2C P28335 3/20 0.46
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
PKM P14618 2/20 0.45
SLC6A7 Q99884 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
OGA O60502 1/20 0.44
LCAT P04180 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
PARP1 P09874 1/20 0.43

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
SCHEMBL2834267 0.92 ADRB1 (0.61) ADRB1RBP4CHRM4KMT2AKDM4E
SCHEMBL345329 0.88 ADRB1 (0.52) ADRB1RBP4CHRM4KMT2AHTR2C
SCHEMBL344771 0.86 ADRB1 (0.55) ADRB1RBP4CHRM4KMT2AKDM4E
SCHEMBL13990826 0.85 ADRB1 (0.59) ADRB1RBP4CHRM4KMT2AKDM4E
SCHEMBL2328236 0.84 KMT2A (0.45) ADRB1RBP4CHRM4KMT2AKDM4E
SCHEMBL1994796 0.83 ADRB1 (0.64) ADRB1RBP4CHRM4KMT2AKDM4E
SCHEMBL13082994 0.82 ADRB1 (0.56) ADRB1RBP4CHRM4KMT2AKDM4E
SCHEMBL8354208 0.81 ADRB1 (0.78) ADRB1RBP4KMT2AKDM4EHTR2C
SCHEMBL14923154 0.80 ADRB1 (0.64) ADRB1RBP4KMT2AKDM4EHTR2C
SCHEMBL5463427 0.80 ADRB1 (0.64) ADRB1RBP4CHRM4KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356108-B1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-15 EP 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
CN-102216291-A Carbamate derivatives containing alkyl-heterocycles, preparation and therapeutic use thereof SANOFI AVENTIS 2011-10-12 CN disclosed
EP-2356108-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-08-17 EP disclosed
WO-2010055267-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-05-20 WO 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 ADRB1 1968/4885RBP4 2582/4885CHRM4 1210/4885

“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.