SCHEMBL343966

SCHEMBL343966

CC1(CCNC(=O)O)CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.47
PKM P14618 2/20 0.47
SLC6A7 Q99884 1/20 0.47
CHRM4 P08173 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
OGA O60502 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
PARP1 P09874 1/20 0.41
RBP4 P02753 1/20 0.40
KMT2A Q03164 1/20 0.40
ACACB O00763 3/20 0.39
RIPK1 Q13546 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
SCHEMBL2326691 0.88 ADRB1 (0.48) ADRB1PKMSLC6A7CHRM4HDAC6
SCHEMBL2324230 0.88 ADRB1 (0.46) ADRB1PKMSLC6A7CHRM4HDAC6
SCHEMBL2327987 0.83 CHRM4 (0.42) ADRB1PKMSLC6A7CHRM4HDAC6
SCHEMBL16161721 0.81 ADRB1 (0.50) ADRB1PKMSLC6A7CHRM4HDAC6
SCHEMBL2324834 0.79 CHRM4 (0.68) ADRB1PKMSLC6A7CHRM4HDAC6
SCHEMBL2359980 0.77 CHRM4 (0.61) ADRB1PKMSLC6A7CHRM4HDAC6
SCHEMBL2328205 0.76 ADRB1 (0.54) ADRB1PKMSLC6A7CHRM4HDAC6
SCHEMBL1728756 0.76 CHRM4 (0.59) ADRB1PKMSLC6A7CHRM4HDAC6
SCHEMBL344929 0.76 CHRM4 (0.56) ADRB1PKMSLC6A7CHRM4HDAC6
SCHEMBL648827 0.75 ADRB1 (0.62) ADRB1PKMSLC6A7CA12CA1

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 5 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
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 1968/4885PKM 2791/4885SLC6A7 265/4885

“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.