SCHEMBL345436

SCHEMBL345436

NC(=O)c1cc(COC(=O)NCCC2CCN(c3ccc4cc(F)ccc4n3)CC2)on1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.40
PDE2A O00408 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SCD O00767 4/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
CHRM4 P08173 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35

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
SCHEMBL345088 0.91 PDE10A (0.44) PDE10APDE2AHDAC3HDAC2HRH3
SCHEMBL344784 0.90 HRH3 (0.41) PDE10AHRH3SCDTPSAB1TPSD1
SCHEMBL345122 0.85 CHRM4 (0.43) SCDTPSAB1TPSD1TPSG1CHRM4
SCHEMBL345713 0.84 SCN9A (0.39) TPSAB1TPSD1TPSG1CHRM4
SCHEMBL12058096 0.83 HDAC3 (0.36) PDE10APDE2AHDAC3HDAC2HRH3
SCHEMBL344703 0.83 HRH3 (0.41) PDE10AHRH3SCDCHRM4ACACB
SCHEMBL345663 0.82 CHRM4 (0.42) HDAC3HDAC2TPSAB1TPSD1TPSG1
SCHEMBL2405732 0.81 PDE10A (0.40) PDE10APDE2AHDAC3HDAC2HRH3
SCHEMBL345825 0.81 HRH3 (0.39) PDE10APDE2AHRH3SCDCHRM4
SCHEMBL13259875 0.81 HRH3 (0.37) PDE10APDE2AHDAC3HDAC2HRH3

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 PDE10A 1799/4885PDE2A 2627/4885HDAC3 217/4885

“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.