SCHEMBL17311013

SCHEMBL17311013

O=C(CCc1ccc(OC(F)(F)F)cc1)N1CCC2CN(Cc3ccc4[nH]nnc4c3)CC2C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.43
▸ ATXN2 Q99700 2/20 0.43
▸ GPBAR1 Q8TDU6 4/20 0.41
▸ DGAT2 Q96PD7 1/20 0.40
▸ EPHX2 P34913 3/20 0.39
▸ MLNR O43193 3/20 0.39
▸ GPR183 P32249 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ LIPE Q05469 2/20 0.39
▸ LSS P48449 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TEAD1 P28347 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
SCHEMBL17311011 1.00 ENPP2 (0.43) ENPP2ATXN2GPBAR1DGAT2EPHX2
SCHEMBL17311017 1.00 ENPP2 (0.43) ENPP2ATXN2GPBAR1DGAT2EPHX2
SCHEMBL17310877 0.89 ENPP2 (0.55) ENPP2ATXN2GPBAR1DGAT2LIPE
SCHEMBL16963324 0.89 ENPP2 (0.55) ENPP2ATXN2GPBAR1DGAT2LIPE
SCHEMBL17310878 0.89 ENPP2 (0.55) ENPP2ATXN2GPBAR1DGAT2LIPE
SCHEMBL16963871 0.85 NAMPT (0.47) ENPP2ATXN2DGAT2EPHX2GPR183
SCHEMBL17311092 0.83 NAMPT (0.50) ENPP2ATXN2GPR183ROCK2LIPE
SCHEMBL21323332 0.83 NAMPT (0.50) ENPP2ATXN2GPR183ROCK2LIPE
SCHEMBL17311095 0.83 NAMPT (0.50) ENPP2ATXN2GPR183ROCK2LIPE
SCHEMBL21323097 0.82 ENPP2 (0.57) ENPP2ATXN2GPBAR1DGAT2LIPE

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 10 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
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

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 669/4885GPBAR1 1630/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ENPP2 1981/4885ATXN2 791/4885GPBAR1 1583/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ENPP2 1981/4885ATXN2 791/4885GPBAR1 1583/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ENPP2 1981/4885ATXN2 791/4885GPBAR1 1583/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB ENPP2 1716/4885ATXN2 669/4885GPBAR1 1630/4885

“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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