SCHEMBL16759883

SCHEMBL16759883

CCOc1cc(C(=O)N2C[C@@H]3[C@H](C2)[C@H]2CN(C(=O)c4ccc5[nH]nnc5c4)C[C@@H]32)cc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.42
▸ ALOX15 P16050 1/20 0.39
▸ HCRTR1 O43613 5/20 0.39
▸ HCRTR2 O43614 5/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL22911145 1.00 MGLL (0.42) MGLLALOX15HCRTR1HCRTR2NPC1
SCHEMBL22911144 0.91 MGLL (0.37) MGLLALOX15HCRTR1HCRTR2NPC1
SCHEMBL22911018 0.91 TTK (0.36) MGLLNPC1KMT2AHPGDL3MBTL1
SCHEMBL16759906 0.91 TTK (0.36) MGLLNPC1KMT2AHPGDL3MBTL1
SCHEMBL22910859 0.90 ROCK2 (0.42) MGLLNPC1KMT2AHPGDL3MBTL1
SCHEMBL16759723 0.90 ROCK2 (0.42) MGLLNPC1KMT2AHPGDL3MBTL1
SCHEMBL16759835 0.90 ATXN2 (0.42) MGLL
SCHEMBL22910870 0.90 ATXN2 (0.42) MGLL
SCHEMBL16759905 0.89 MGLL (0.43) MGLLALOX15HCRTR1HCRTR2NPC1
SCHEMBL22911093 0.89 MGLL (0.43) MGLLALOX15HCRTR1HCRTR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2021-01-21 — — US claimed
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl HOFFMANN-LA ROCHE INC. (US) 2020-12-01 — — US claimed
US-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2018-10-04 — — US claimed
EP-3074400-B1 OCTAHYDRO-CYCLOBUTA [1,2-C;3,4-C']DIPYRROLE DERIVATIVES AS AUTOTAXIN INHIBITORS HOFFMANN LA ROCHE (CH) 2017-11-15 — — EP claimed
EP-3074400-A1 NEW OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL F. Hoffmann-La Roche AG (CH) 2016-10-05 — — EP claimed
US-20160264586-A1 OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2016-09-15 — — US claimed
WO-2015078803-A1 NEW OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL F. HOFFMANN-LA ROCHE AG (CH) 2015-06-04 — — WO claimed
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2021-01-21 — — US disclosed
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl HOFFMANN-LA ROCHE INC. (US) 2020-12-01 — — US disclosed
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl HOFFMANN-LA ROCHE INC. (US) 2020-12-01 — — US disclosed
US-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2018-10-04 — — US disclosed
EP-3074400-B1 OCTAHYDRO-CYCLOBUTA [1,2-C;3,4-C']DIPYRROLE DERIVATIVES AS AUTOTAXIN INHIBITORS HOFFMANN LA ROCHE (CH) 2017-11-15 — — EP disclosed
EP-3074400-A1 NEW OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL F. Hoffmann-La Roche AG (CH) 2016-10-05 — — EP disclosed
US-20160264586-A1 OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2016-09-15 — — US disclosed
US-20160264586-A1 OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2016-09-15 — — US disclosed
US-20160264586-A1 OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2016-09-15 — — US disclosed
WO-2015078803-A1 NEW OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL F. HOFFMANN-LA ROCHE AG (CH) 2015-06-04 — — 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 (4 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-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 MGLL 3367/4885ALOX15 1905/4885HCRTR1 107/4885
US-20160264586-A1 OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 MGLL 3367/4885ALOX15 1905/4885HCRTR1 107/4885
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 MGLL 3367/4885ALOX15 1905/4885HCRTR1 107/4885
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl NPY1R, NPY2R, DECR1 MGLL 3328/4885ALOX15 1933/4885HCRTR1 107/4885

“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.

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