SCHEMBL2605740

SCHEMBL2605740

COc1ccccc1CCNC(=O)C(=O)NC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.65
MTNR1B P49286 1/20 0.65
HPGD P15428 2/20 0.53
CNR1 P21554 1/20 0.53
TAAR1 Q96RJ0 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
TP53 P04637 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49

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
SCHEMBL14817540 0.84 MTNR1A (0.70) MTNR1AMTNR1BHPGDCNR1TAAR1
SCHEMBL10289223 0.84 MTNR1A (0.70) MTNR1AMTNR1BHPGDCNR1TAAR1
SCHEMBL169897 0.81 MTNR1A (0.70) MTNR1AMTNR1BHPGDCNR1TAAR1
SCHEMBL13926593 0.81 MTNR1A (0.65) MTNR1AMTNR1BHPGDCNR1TAAR1
SCHEMBL14019930 0.80 NPC1 (0.54) CNR1TAAR1KMT2AMEN1ALDH1A1
SCHEMBL11896371 0.79 MTNR1A (0.77) MTNR1AMTNR1BHPGDCNR1TAAR1
SCHEMBL1010724 0.79 MTNR1A (1.00) MTNR1AMTNR1BHPGDCNR1TAAR1
SCHEMBL8419482 0.79 MTNR1A (0.67) MTNR1AMTNR1BHPGDCNR1TAAR1
SCHEMBL14893135 0.78 MTNR1A (0.74) MTNR1AMTNR1BHPGDCNR1TAAR1
SCHEMBL22826695 0.78 MTNR1A (0.65) MTNR1AMTNR1BHPGDCNR1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (6 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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 MTNR1A 4862/4885MTNR1B 4825/4885HPGD 1051/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 MTNR1A 495/4885MTNR1B 756/4885HPGD 2268/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR MTNR1A 66/4885MTNR1B 128/4885HPGD 680/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 MTNR1A 4862/4885MTNR1B 4825/4885HPGD 1051/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET MTNR1A 2698/4885MTNR1B 2474/4885HPGD 3075/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 MTNR1A 4494/4885MTNR1B 4048/4885HPGD 2987/4885

“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.