SCHEMBL16961850

SCHEMBL16961850

O=C(C=Cc1ccc(OC(F)(F)F)cc1)N1CC2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.46
▸ DGAT2 Q96PD7 1/20 0.46
▸ STAT3 P40763 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ GPR183 P32249 6/20 0.40
▸ CA2 P00918 2/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ CCR2 P41597 1/20 0.39
▸ LIPE Q05469 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ GHSR Q92847 1/20 0.38
▸ ATXN2 Q99700 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ FPR2 P25090 1/20 0.37

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
SCHEMBL16961848 1.00 ENPP2 (0.46) ENPP2DGAT2STAT3HRH3GPR183
SCHEMBL16961853 1.00 ENPP2 (0.46) ENPP2DGAT2STAT3HRH3GPR183
SCHEMBL21985821 1.00 ENPP2 (0.46) ENPP2DGAT2STAT3HRH3GPR183
SCHEMBL16961845 1.00 ENPP2 (0.46) ENPP2DGAT2STAT3HRH3GPR183
SCHEMBL17322750 1.00 ENPP2 (0.46) ENPP2DGAT2STAT3HRH3GPR183
SCHEMBL16962991 0.98 ENPP2 (0.44) ENPP2DGAT2STAT3HRH3GPR183
SCHEMBL21323345 0.98 ENPP2 (0.44) ENPP2DGAT2STAT3HRH3GPR183
SCHEMBL21323344 0.98 ENPP2 (0.44) ENPP2DGAT2STAT3HRH3GPR183
SCHEMBL16962989 0.98 ENPP2 (0.44) ENPP2DGAT2STAT3HRH3GPR183
SCHEMBL16963375 0.97 ENPP2 (0.47) ENPP2DGAT2STAT3HRH3GPR183

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 1716/4885DGAT2 3583/4885STAT3 4697/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ENPP2 1981/4885DGAT2 3525/4885STAT3 4615/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ENPP2 1981/4885DGAT2 3525/4885STAT3 4615/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ENPP2 1981/4885DGAT2 3525/4885STAT3 4615/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB ENPP2 1716/4885DGAT2 3583/4885STAT3 4697/4885

“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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