SCHEMBL1934907

SCHEMBL1934907

COc1ccc2c(c1)c(-c1cc3c(ncc4cnc(CCCNC(C)=O)n43)n1CO)cn2C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.48
MTNR1B P49286 15/20 0.48
NQO2 P16083 2/20 0.48
DYRK1A Q13627 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ROCK1 Q13464 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
SCHEMBL2316221 0.87 ADRB2 (0.41) MTNR1AMTNR1BNQO2DYRK1A
SCHEMBL2321987 0.83 MTNR1A (0.37) MTNR1AMTNR1BNQO2
SCHEMBL1934805 0.83 MTNR1A (0.51) MTNR1AMTNR1BNQO2DYRK1AHDAC3
SCHEMBL2321277 0.82 DYRK1A (0.39) MTNR1AMTNR1BNQO2DYRK1A
SCHEMBL2319882 0.79 LCK (0.33) MTNR1AMTNR1BNQO2
SCHEMBL2319844 0.79 MTNR1A (0.39) MTNR1AMTNR1BNQO2
SCHEMBL15875796 0.75 MTNR1A (0.36) MTNR1AMTNR1BNQO2
SCHEMBL2317147 0.73 IGF1R (0.54) MTNR1AMTNR1BNQO2ROCK1
SCHEMBL1933816 0.73 MTNR1A (0.36) MTNR1AMTNR1BNQO2
SCHEMBL15875800 0.72 GSK3B (0.38) MTNR1AMTNR1BNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
EP-2506713-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 WO 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 (2 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 MTNR1A 1322/4885MTNR1B 826/4885NQO2 233/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 MTNR1A 1322/4885MTNR1B 826/4885NQO2 233/4885

“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.