SCHEMBL344792

SCHEMBL344792

NC(=O)c1cc(COC(=O)NCCC2CCN(c3ccc(Br)cn3)CC2)on1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 10/20 0.43
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
SIRT2 Q8IXJ6 3/20 0.38
SIRT1 Q96EB6 3/20 0.38
SIRT3 Q9NTG7 3/20 0.38
AKR1C3 P42330 1/20 0.36
CETP P11597 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CPB2 Q96IY4 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL30589039 0.88 CHRM4 (0.36) CHRM4TPSAB1TPSD1TPSG1AKR1C3
SCHEMBL345122 0.87 CHRM4 (0.43) CHRM4TPSAB1TPSD1TPSG1
SCHEMBL345663 0.85 CHRM4 (0.42) CHRM4TPSAB1TPSD1TPSG1CHRM2
SCHEMBL3269077 0.82 CHRM4 (0.49) CHRM4TPSAB1TPSD1TPSG1SIRT2
SCHEMBL25384099 0.80 CHRM4 (0.38) CHRM4AKR1C3CHRM2CPB2PDE10A
SCHEMBL344784 0.80 HRH3 (0.41) TPSAB1TPSD1TPSG1SIRT2SIRT1
SCHEMBL345436 0.80 PDE10A (0.40) CHRM4TPSAB1TPSD1TPSG1SIRT2
SCHEMBL30589027 0.78 CHRM4 (0.37) CHRM4CPB2
SCHEMBL2404169 0.78 CHRM4 (0.45) CHRM4TPSAB1TPSD1TPSG1AKR1C3
SCHEMBL21828548 0.78 CPB2 (0.37) CHRM4CPB2

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 CHRM4 1210/4885TPSAB1 4330/4885TPSD1 2335/4885

“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.