SCHEMBL16759896

SCHEMBL16759896

O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N1C[C@@H]2[C@H](C1)[C@H]1CN(C(=O)c3ccc4[nH]nnc4c3)C[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ SLC6A7 Q99884 3/20 0.41
▸ LSS P48449 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ ENPP2 Q13822 3/20 0.40
▸ ATXN2 Q99700 3/20 0.40
▸ MGLL Q99685 3/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ GPR183 P32249 2/20 0.39
▸ KMT2A Q03164 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
SCHEMBL22911164 1.00 CCNC (0.41) CCNCCDK8SLC6A7LSSHPGD
SCHEMBL16962830 0.93 SLC6A7 (0.47) CCNCCDK8SLC6A7LSSHPGD
SCHEMBL21323113 0.93 SLC6A7 (0.47) CCNCCDK8SLC6A7LSSHPGD
SCHEMBL16962831 0.93 SLC6A7 (0.47) CCNCCDK8SLC6A7LSSHPGD
SCHEMBL20107136 0.93 SLC6A7 (0.47) CCNCCDK8SLC6A7LSSHPGD
SCHEMBL16759821 0.93 SLC6A7 (0.45) CCNCCDK8SLC6A7HPGDHTR2B
SCHEMBL22911178 0.90 MGLL (0.42) CCNCCDK8SLC6A7HPGDHTR2B
SCHEMBL16759760 0.90 MGLL (0.42) CCNCCDK8SLC6A7HPGDHTR2B
SCHEMBL22911067 0.89 HPGD (0.45) CCNCCDK8SLC6A7HPGDENPP2
SCHEMBL16759749 0.89 HPGD (0.45) CCNCCDK8SLC6A7HPGDENPP2

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 18 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-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 CCNC 24/4885CDK8 1582/4885SLC6A7 3934/4885
US-20160264586-A1 OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 CCNC 24/4885CDK8 1582/4885SLC6A7 3934/4885
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 CCNC 24/4885CDK8 1582/4885SLC6A7 3934/4885
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl NPY1R, NPY2R, DECR1 CCNC 24/4885CDK8 1502/4885SLC6A7 3956/4885

“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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