SCHEMBL17310944

SCHEMBL17310944

O=C(C=Cc1cccc(OC(F)(F)F)c1)N1CC2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.42
▸ MGLL Q99685 4/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ DGAT2 Q96PD7 1/20 0.41
▸ GHSR Q92847 1/20 0.37
▸ FPR2 P25090 1/20 0.37
▸ MAPK7 Q13164 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ SLC6A7 Q99884 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GPR183 P32249 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ KCNK3 O14649 1/20 0.34
▸ KCNK9 Q9NPC2 1/20 0.34

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
SCHEMBL17310943 1.00 HSD11B1 (0.42) HSD11B1MGLLENPP2DGAT2GHSR
SCHEMBL16962297 1.00 HSD11B1 (0.42) HSD11B1MGLLENPP2DGAT2GHSR
SCHEMBL17310942 1.00 HSD11B1 (0.42) HSD11B1MGLLENPP2DGAT2GHSR
SCHEMBL16963402 0.98 HSD11B1 (0.44) HSD11B1MGLLENPP2DGAT2GHSR
SCHEMBL21322989 0.98 HSD11B1 (0.44) HSD11B1MGLLENPP2DGAT2GHSR
SCHEMBL16963401 0.98 HSD11B1 (0.44) HSD11B1MGLLENPP2DGAT2GHSR
SCHEMBL21323356 0.96 HSD11B1 (0.42) HSD11B1MGLLENPP2DGAT2GHSR
SCHEMBL21323358 0.96 HSD11B1 (0.42) HSD11B1MGLLENPP2DGAT2GHSR
SCHEMBL16963366 0.96 HSD11B1 (0.42) HSD11B1MGLLENPP2DGAT2GHSR
SCHEMBL16963364 0.96 HSD11B1 (0.42) HSD11B1MGLLENPP2DGAT2GHSR

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 HSD11B1 1683/4885MGLL 4119/4885ENPP2 1716/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB HSD11B1 1468/4885MGLL 4232/4885ENPP2 1981/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB HSD11B1 1468/4885MGLL 4232/4885ENPP2 1981/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB HSD11B1 1468/4885MGLL 4232/4885ENPP2 1981/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB HSD11B1 1683/4885MGLL 4119/4885ENPP2 1716/4885

“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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