SCHEMBL345643

SCHEMBL345643

CNC(=O)c1cc(CN(CC2(F)CCN(c3nccc(C(F)(F)F)n3)CC2)C(=O)O)on1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.38
PKM P14618 2/20 0.37
SLC6A7 Q99884 1/20 0.37
CHRM4 P08173 1/20 0.36
ADRB1 P08588 1/20 0.36
RIPK1 Q13546 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CCR2 P41597 3/20 0.35
KCNH2 Q12809 2/20 0.35
CCR5 P51681 1/20 0.35
CETP P11597 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
OGA O60502 1/20 0.33
PARP1 P09874 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
SCHEMBL345792 0.88 PKM (0.36) HDAC6PKMSLC6A7CHRM4ADRB1
SCHEMBL345630 0.88 PKM (0.36) HDAC6PKMSLC6A7CHRM4ADRB1
SCHEMBL345257 0.86 PKM (0.35) HDAC6PKMSLC6A7CHRM4ADRB1
SCHEMBL345182 0.85 CHRM4 (0.45) HDAC6PKMSLC6A7CHRM4ADRB1
SCHEMBL9993035 0.83 ADRB1 (0.37) HDAC6PKMSLC6A7CHRM4ADRB1
SCHEMBL344848 0.82 ACACB (0.38) HDAC6PKMSLC6A7CHRM4CETP
SCHEMBL345166 0.82 CHRM4 (0.43) HDAC6PKMSLC6A7CHRM4ADRB1
SCHEMBL343821 0.82 ACACB (0.34) HDAC6PKMSLC6A7CHRM4ADRB1
SCHEMBL345642 0.80 HDAC6 (0.38) HDAC6PKMSLC6A7CHRM4ADRB1
SCHEMBL344770 0.74 CHRM4 (0.44) PKMSLC6A7CHRM4ADRB1CA12

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-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 HDAC6 706/4885PKM 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.