SCHEMBL16962814

SCHEMBL16962814

O=C(CCc1ccc(OCC(F)(F)F)c(F)c1)N1CC[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@@H]2CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATXN2 Q99700 6/20 0.39
▸ ENPP2 Q13822 4/20 0.39
▸ DGAT2 Q96PD7 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ LIPE Q05469 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL21322858 1.00 ATXN2 (0.39) ATXN2ENPP2DGAT2MEN1KMT2A
SCHEMBL16963195 0.91 ENPP2 (0.45) ATXN2ENPP2DGAT2LIPENTRK1
SCHEMBL21323015 0.91 ENPP2 (0.45) ATXN2ENPP2DGAT2LIPENTRK1
SCHEMBL21323016 0.91 ENPP2 (0.45) ATXN2ENPP2DGAT2LIPENTRK1
SCHEMBL22607225 0.91 ENPP2 (0.45) ATXN2ENPP2DGAT2LIPENTRK1
SCHEMBL16962815 0.89 ATM (0.42) ATXN2ENPP2MEN1KMT2ATLR9
SCHEMBL21323370 0.89 ATM (0.42) ATXN2ENPP2MEN1KMT2ATLR9
SCHEMBL21323313 0.88 ENPP2 (0.47) ATXN2ENPP2DGAT2MEN1KMT2A
SCHEMBL16963432 0.88 ENPP2 (0.47) ATXN2ENPP2DGAT2MEN1KMT2A
SCHEMBL21323193 0.86 ATXN2 (0.40) ATXN2ENPP2DGAT2LIPESCN9A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669268-B2 Bicyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 — — US claimed
EP-2900669-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2019-09-04 — — EP claimed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — US claimed
US-20150353559-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-10 — — US claimed
EP-2900669-A1 NEW BICYCLIC DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-08-05 — — EP claimed
US-20200339570-A1 BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 — — US disclosed
US-20200339570-A1 BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 — — US disclosed
US-10669268-B2 Bicyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 — — US disclosed
US-10669268-B2 Bicyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 — — US disclosed
EP-2900669-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2019-09-04 — — EP disclosed
EP-2900669-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2019-09-04 — — EP disclosed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — US disclosed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — US disclosed
US-20170050960-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-02-23 — — US disclosed
US-20170050960-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-02-23 — — US disclosed
US-20170050960-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-02-23 — — US disclosed
US-20150353559-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-10 — — US disclosed
US-20150353559-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-10 — — US disclosed
US-20150353559-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-10 — — US disclosed
EP-2900669-A1 NEW BICYCLIC DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-08-05 — — EP 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 (5 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-10669268-B2 Bicyclic derivatives CCNY, BICRA, UQCRB ATXN2 669/4885ENPP2 1716/4885DGAT2 3583/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ATXN2 791/4885ENPP2 1981/4885DGAT2 3525/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ATXN2 791/4885ENPP2 1981/4885DGAT2 3525/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ATXN2 791/4885ENPP2 1981/4885DGAT2 3525/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB ATXN2 669/4885ENPP2 1716/4885DGAT2 3583/4885

“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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