SCHEMBL16759925

SCHEMBL16759925

O=C(c1ccc2[nH]nnc2c1)N1C[C@@H]2[C@H](C1)[C@H]1CN(C(=O)c3ccc4c(c3)[nH]c3ccc(Cl)cc34)C[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.40
▸ ATXN2 Q99700 3/20 0.40
▸ PTGS2 P35354 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ABCC4 O15439 1/20 0.39
▸ C5 P01031 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ MAP2 P11137 1/20 0.38
▸ HRH4 Q9H3N8 4/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ BAZ2B Q9UIF8 1/20 0.35
▸ CACNA1G O43497 1/20 0.35

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
SCHEMBL22911013 1.00 ENPP2 (0.40) ENPP2ATXN2PTGS2MEN1ABCC4
SCHEMBL22911010 0.90 ENPP2 (0.39) ENPP2ATXN2PTGS2MEN1ABCC4
SCHEMBL16759839 0.84 ENPP2 (0.46) ENPP2ATXN2KMT2ACCNCCDK8
SCHEMBL22911164 0.83 CCNC (0.41) ENPP2ATXN2KMT2ACCNCCDK8
SCHEMBL16759896 0.83 CCNC (0.41) ENPP2ATXN2KMT2ACCNCCDK8
SCHEMBL22911069 0.83 ENPP2 (0.59) ENPP2ATXN2MEN1KMT2AHRH4
SCHEMBL16759931 0.83 ENPP2 (0.59) ENPP2ATXN2MEN1KMT2AHRH4
SCHEMBL16759788 0.82 GPR183 (0.52) ENPP2ATXN2MEN1KMT2AHRH4
SCHEMBL22911127 0.82 GPR183 (0.52) ENPP2ATXN2MEN1KMT2AHRH4
SCHEMBL16759821 0.79 SLC6A7 (0.45) CCNCCDK8HPGD

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 ENPP2 2448/4885ATXN2 1316/4885PTGS2 1257/4885
US-20160264586-A1 OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 ENPP2 2448/4885ATXN2 1316/4885PTGS2 1257/4885
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 ENPP2 2448/4885ATXN2 1316/4885PTGS2 1257/4885
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl NPY1R, NPY2R, DECR1 ENPP2 2566/4885ATXN2 1217/4885PTGS2 1303/4885

“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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