SCHEMBL345257

SCHEMBL345257

CCC1(CCN(Cc2cc(C(=O)NC)no2)C(=O)O)CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.35
SLC6A7 Q99884 1/20 0.35
CHRM4 P08173 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
ADRB1 P08588 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CETP P11597 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RIPK1 Q13546 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
CCR2 P41597 2/20 0.32
CCR5 P51681 1/20 0.32
KCNH2 Q12809 1/20 0.32
OGA O60502 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL345630 0.91 PKM (0.36) PKMSLC6A7CHRM4HDAC6ADRB1
SCHEMBL345792 0.91 PKM (0.36) PKMSLC6A7CHRM4HDAC6ADRB1
SCHEMBL345643 0.86 HDAC6 (0.38) PKMSLC6A7CHRM4HDAC6ADRB1
SCHEMBL343821 0.85 ACACB (0.34) PKMSLC6A7CHRM4HDAC6ADRB1
SCHEMBL345182 0.85 CHRM4 (0.45) PKMSLC6A7CHRM4HDAC6ADRB1
SCHEMBL344848 0.83 ACACB (0.38) PKMSLC6A7CHRM4HDAC6CETP
SCHEMBL9993035 0.80 ADRB1 (0.37) PKMSLC6A7CHRM4HDAC6ADRB1
SCHEMBL345166 0.80 CHRM4 (0.43) PKMSLC6A7CHRM4HDAC6ADRB1
SCHEMBL345259 0.77 HRH4 (0.40) HDAC6KCNH2KMT2A
SCHEMBL345642 0.76 HDAC6 (0.38) PKMSLC6A7CHRM4HDAC6ADRB1

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 PKM 2791/4885SLC6A7 265/4885CHRM4 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.