SCHEMBL16962449

SCHEMBL16962449

COc1ccc(CCC(=O)N2CC[C@@H]3CN(C(=O)c4ccc5[nH]nnc5c4)C[C@@H]3CC2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.46
▸ PROKR1 Q8TCW9 4/20 0.40
▸ ATXN2 Q99700 2/20 0.40
▸ ENPP2 Q13822 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ RBP4 P02753 1/20 0.39
▸ DGAT2 Q96PD7 1/20 0.38
▸ LIPE Q05469 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL16962750 0.89 ATXN2 (0.39) ATXN2ENPP2MAPTRBP4DGAT2
SCHEMBL21323369 0.89 ATXN2 (0.39) ATXN2ENPP2MAPTRBP4DGAT2
SCHEMBL16962030 0.85 ENPP2 (0.48) ATXN2ENPP2DGAT2LIPE
SCHEMBL21323193 0.85 ATXN2 (0.40) ATXN2ENPP2DGAT2LIPE
SCHEMBL16963182 0.85 ATXN2 (0.40) ATXN2ENPP2DGAT2LIPE
SCHEMBL21323240 0.85 ENPP2 (0.48) ATXN2ENPP2DGAT2LIPE
SCHEMBL21323238 0.85 ENPP2 (0.48) ATXN2ENPP2DGAT2LIPE
SCHEMBL16963540 0.82 GPR183 (0.42) PROKR1ATXN2ENPP2RBP4DGAT2
SCHEMBL16963543 0.82 GPR183 (0.42) PROKR1ATXN2ENPP2RBP4DGAT2
SCHEMBL21323186 0.82 GPR183 (0.42) PROKR1ATXN2ENPP2RBP4DGAT2

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 EPHX2 582/4885PROKR1 2804/4885ATXN2 669/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB EPHX2 701/4885PROKR1 2735/4885ATXN2 791/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB EPHX2 701/4885PROKR1 2735/4885ATXN2 791/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB EPHX2 701/4885PROKR1 2735/4885ATXN2 791/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB EPHX2 582/4885PROKR1 2804/4885ATXN2 669/4885

“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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