SCHEMBL2016131

SCHEMBL2016131

CN(C)C=CC(=O)c1cn2c3c(cccc13)CCC2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.48
MTNR1B P49286 7/20 0.48
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MCL1 Q07820 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL2016130 1.00 MTNR1A (0.48) MTNR1AMTNR1BHTR2AHTR2CMCL1
SCHEMBL13067746 0.82 HTR2A (0.49) MTNR1AMTNR1BHTR2AHTR2CMCL1
SCHEMBL2020434 0.79 MTNR1A (0.59) MTNR1AMTNR1BHTR2AHTR2CMCL1
SCHEMBL1395799 0.78 HTR2A (0.52) MTNR1AMTNR1BHTR2AHTR2CMCL1
SCHEMBL27977245 0.77 HTR2A (0.51) MTNR1AMTNR1BHTR2AHTR2CMCL1
SCHEMBL2023775 0.77 HTR2A (0.51) MTNR1AMTNR1BHTR2AHTR2CMCL1
SCHEMBL12450012 0.76 MTNR1A (0.57) MTNR1AMTNR1BHTR2AHTR2CMCL1
SCHEMBL2879591 0.76 MTNR1A (0.53) MTNR1AMTNR1BHTR2AHTR2CMCL1
SCHEMBL13087200 0.76 MTNR1A (0.50) MTNR1AMTNR1BHTR2AHTR2CMCL1
SCHEMBL3054307 0.76 HTR2A (0.50) MTNR1AMTNR1BHTR2AHTR2CMCL1

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
US-8563567-B2 Substituted heterocyclic compounds ARQULE, INC. (US) 2013-10-22 US disclosed
WO-2011082266-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS ARQULE, INC. (US) 2011-07-07 WO disclosed
US-20110160237-A1 Substituted Heterocyclic Compounds ARQULE, INC. (US) 2011-06-30 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-20110160237-A1 Substituted Heterocyclic Compounds MKI67, CCNC, NQO1 MTNR1A 1539/4885MTNR1B 1076/4885HTR2A 1440/4885

“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.