SCHEMBL16963144

SCHEMBL16963144

O=C(c1ccc2[nH]nnc2c1)N1C=C2CN(C(=O)CCc3ccc(OC(F)(F)F)cc3F)C[C@@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.41
▸ ATXN2 Q99700 9/20 0.41
▸ DGAT2 Q96PD7 1/20 0.38
▸ CYP3A4 P08684 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ CFTR P13569 1/20 0.32
▸ FPR2 P25090 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.30
▸ ADRB2 P07550 1/20 0.30

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
SCHEMBL16963035 0.90 ENPP2 (0.50) ENPP2ATXN2DGAT2HTR2BGPBAR1
SCHEMBL16963686 0.90 ENPP2 (0.50) ENPP2ATXN2DGAT2HTR2BGPBAR1
SCHEMBL16963059 0.89 CA2 (0.36) ENPP2ATXN2
SCHEMBL16963188 0.89 ENPP2 (0.45) ENPP2ATXN2DGAT2
SCHEMBL16963143 0.86 ENPP2 (0.51) ENPP2ATXN2DGAT2CYP3A4DPP4
SCHEMBL21323023 0.86 ENPP2 (0.51) ENPP2ATXN2DGAT2CYP3A4DPP4
SCHEMBL16962787 0.86 ENPP2 (0.39) ENPP2ATXN2DGAT2GPBAR1
SCHEMBL16962304 0.85 ENPP2 (0.42) ENPP2ATXN2DGAT2HTR2B
SCHEMBL16963165 0.82 ENPP2 (0.38) ENPP2ATXN2DGAT2
SCHEMBL16962690 0.82 ENPP2 (0.38) ENPP2ATXN2DGAT2CFTR

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
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
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-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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