SCHEMBL345122

SCHEMBL345122

NC(=O)c1cc(COC(=O)NCCC2CCN(c3ccc(-c4ccc(F)cc4)cn3)CC2)on1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.43
TDP1 Q9NUW8 1/20 0.38
TDO2 P48775 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SCD O00767 3/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
RET P07949 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37

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
SCHEMBL345663 0.93 CHRM4 (0.42) CHRM4TDP1CKS1BSKP1SKP2
SCHEMBL345341 0.91 CHRM4 (0.42) CHRM4MEN1KMT2ASCDCKS1B
SCHEMBL345285 0.90 CHRM4 (0.42) CHRM4TDP1MEN1KMT2ACKS1B
SCHEMBL344792 0.87 CHRM4 (0.43) CHRM4TPSAB1TPSD1TPSG1
SCHEMBL344459 0.86 CHRM4 (0.42) CHRM4TDP1TDO2SCDCKS1B
SCHEMBL345713 0.86 SCN9A (0.39) CHRM4CKS1BSKP1SKP2TPSAB1
SCHEMBL345436 0.85 PDE10A (0.40) CHRM4TDP1MEN1KMT2ASCD
SCHEMBL2407769 0.84 CHRM4 (0.42) CHRM4TDP1TDO2CKS1BSKP1
SCHEMBL3266252 0.84 CHRM4 (0.49) CHRM4TDP1TDO2SCDCKS1B
SCHEMBL2406863 0.81 CHRM4 (0.45) CHRM4TDP1TDO2SCDCKS1B

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 1210/4885TDP1 2834/4885TDO2 2484/4885

“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.