SCHEMBL169897

SCHEMBL169897

COc1ccccc1CCNC(=O)C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.70
MTNR1B P49286 1/20 0.70
HPGD P15428 2/20 0.56
CNR1 P21554 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA5A P35218 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
TAAR1 Q96RJ0 2/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
MPO P05164 1/20 0.51

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
SCHEMBL14893135 0.88 MTNR1A (0.74) MTNR1AMTNR1BHPGDCNR1CA12
SCHEMBL10289223 0.85 MTNR1A (0.70) MTNR1AMTNR1BHPGDCNR1CA12
SCHEMBL14817540 0.85 MTNR1A (0.70) MTNR1AMTNR1BHPGDCNR1CA12
SCHEMBL2204065 0.84 NPSR1 (0.64) HPGDKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL11896371 0.83 MTNR1A (0.77) MTNR1AMTNR1BHPGDCNR1CA12
SCHEMBL1010724 0.83 MTNR1A (1.00) MTNR1AMTNR1BHPGDCNR1TAAR1
SCHEMBL10310315 0.81 MTNR1A (0.65) MTNR1AMTNR1BHPGDCNR1CA12
SCHEMBL13926593 0.81 MTNR1A (0.65) MTNR1AMTNR1BHPGDCNR1TAAR1
SCHEMBL2605740 0.81 MTNR1A (0.65) MTNR1AMTNR1BHPGDCNR1CA12
SCHEMBL14241869 0.80 MTNR1A (0.72) MTNR1AMTNR1BHPGDCNR1CA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
EP-2426108-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MethylGene Inc. (CA) 2012-03-07 EP disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 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-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 MTNR1A 2688/4885MTNR1B 2424/4885HPGD 3538/4885

“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.