SCHEMBL16963844

SCHEMBL16963844

O=C(c1ccc2[nH]nnc2c1)N1C=C2CN(C(=O)CCc3ccc(-c4ccncc4)cc3)C[C@@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 2/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ ENPP2 Q13822 3/20 0.33
▸ ATXN2 Q99700 2/20 0.33
▸ GFER P55789 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ GHSR Q92847 1/20 0.33

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
SCHEMBL16962984 0.92 NAAA (0.43) NAAAENPP2ATXN2
SCHEMBL16963393 0.91 HTR2B (0.37) NAAANAMPTGHSR
SCHEMBL16963779 0.89 NPC1 (0.39) NAAAENPP2ATXN2
SCHEMBL16962370 0.88 ENPP2 (0.38) ENPP2ATXN2
SCHEMBL16963413 0.88 HTR2B (0.38) NAAANAMPTGHSR
SCHEMBL16963686 0.85 ENPP2 (0.50) LSSENPP2ATXN2GHSR
SCHEMBL16963165 0.85 ENPP2 (0.38) ENPP2ATXN2GFER
SCHEMBL16963035 0.85 ENPP2 (0.50) LSSENPP2ATXN2GHSR
SCHEMBL21323107 0.84 LSS (0.39) LSSNAAAENPP2ATXN2GHSR
SCHEMBL16963841 0.84 LSS (0.39) LSSNAAAENPP2ATXN2GHSR

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 LSS 398/4885NAAA 1355/4885ENPP2 1716/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB LSS 402/4885NAAA 1264/4885ENPP2 1981/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB LSS 402/4885NAAA 1264/4885ENPP2 1981/4885
US-20150353559-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB LSS 402/4885NAAA 1264/4885ENPP2 1981/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB LSS 398/4885NAAA 1355/4885ENPP2 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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