SCHEMBL2317372

SCHEMBL2317372

COc1ccc2c(c1)c(-c1cc3c(ncc4cnc(C5CCC(NC(=O)O)C5)n43)n1COCC[Si](C)(C)C)cn2C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.34
MTNR1B P49286 12/20 0.34
HTR3A P46098 1/20 0.32
AVPR1B P47901 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KLKB1 P03952 1/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL2317379 1.00 MTNR1A (0.34) MTNR1AMTNR1BHTR3AAVPR1BMEN1
SCHEMBL2317375 1.00 MTNR1A (0.34) MTNR1AMTNR1BHTR3AAVPR1BMEN1
SCHEMBL12390181 0.92 KLKB1 (0.36) MTNR1AMTNR1BHTR3AMEN1KMT2A
SCHEMBL2319496 0.86 MTNR1A (0.35) MTNR1AMTNR1B
SCHEMBL2315383 0.85 PDE1A (0.36) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL2319162 0.84 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL2315050 0.83 MTNR1A (0.32) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL15875796 0.82 MTNR1A (0.36) MTNR1AMTNR1B
SCHEMBL2319844 0.81 MTNR1A (0.39) MTNR1AMTNR1B
SCHEMBL2321987 0.80 MTNR1A (0.37) MTNR1AMTNR1BDGAT1

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-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-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 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 (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 826/4885HTR3A 1577/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 MTNR1A 1322/4885MTNR1B 826/4885HTR3A 1577/4885

“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.