SCHEMBL16962305

SCHEMBL16962305

O=C(OCc1ccc(OCC(F)(F)F)cc1F)N1CC=C2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@H]2CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 16/20 0.44
▸ ATXN2 Q99700 14/20 0.44
▸ DGAT2 Q96PD7 1/20 0.37
▸ SCN9A Q15858 2/20 0.35
▸ BCL9 O00512 1/20 0.35
▸ CTNNB1 P35222 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
SCHEMBL16963660 0.92 ENPP2 (0.46) ENPP2ATXN2DGAT2BCL9CTNNB1
SCHEMBL16963257 0.90 ENPP2 (0.45) ENPP2ATXN2DGAT2SCN9A
SCHEMBL21323317 0.87 ENPP2 (0.47) ENPP2ATXN2DGAT2
SCHEMBL16962302 0.87 ENPP2 (0.47) ENPP2ATXN2DGAT2
SCHEMBL16963433 0.86 ENPP2 (0.44) ENPP2ATXN2DGAT2SCN9A
SCHEMBL16963658 0.78 ENPP2 (0.53) ENPP2ATXN2DGAT2BCL9CTNNB1
SCHEMBL21323067 0.78 ENPP2 (0.53) ENPP2ATXN2DGAT2BCL9CTNNB1
SCHEMBL21323193 0.78 ATXN2 (0.40) ENPP2ATXN2DGAT2SCN9A
SCHEMBL16963182 0.78 ATXN2 (0.40) ENPP2ATXN2DGAT2SCN9A
SCHEMBL16963455 0.78 ENPP2 (0.57) ENPP2ATXN2DGAT2

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 12 patents. 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-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
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-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 ENPP2 1716/4885ATXN2 669/4885DGAT2 3583/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ENPP2 1981/4885ATXN2 791/4885DGAT2 3525/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ENPP2 1981/4885ATXN2 791/4885DGAT2 3525/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ENPP2 1981/4885ATXN2 791/4885DGAT2 3525/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB ENPP2 1716/4885ATXN2 669/4885DGAT2 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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