SCHEMBL1014216

SCHEMBL1014216

CC(C)(C)OC(=O)N1C[C@H](CO)[C@@H](CO)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.65
PDE4B Q07343 2/20 0.47
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 1/20 0.43
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
RORC P51449 1/20 0.39
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL30721755 1.00 NR1H2 (0.65) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL2937360 1.00 NR1H2 (0.65) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL2930155 1.00 NR1H2 (0.65) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL19123143 0.95 NR1H2 (0.59) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL19385238 0.95 NR1H2 (0.59) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL30835821 0.95 NR1H2 (0.59) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL17841889 0.93 NR1H2 (0.58) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL19695882 0.92 NR1H2 (0.56) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL16963312 0.92 NR1H2 (0.56) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL17310854 0.92 NR1H2 (0.56) NR1H2PDE4BUSP2SMN1; SMN2NAMPT

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590940-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) 2021-06-09 EP disclosed
US-10913745-B2 Octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-02-09 US disclosed
US-20200339570-A1 BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
US-20200216457-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-07-09 US disclosed
US-10669268-B2 Bicyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 US disclosed
US-10654857-B2 Bicyclic compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors HOFFMAN-LA ROCHE INC. (US) 2020-05-19 US disclosed
EP-2970256-B1 NEW OCTAHYDRO-PYRROLO[3,4-C]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS HOFFMANN LA ROCHE (CH) 2019-10-23 EP 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
EP-3122750-B1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN LA ROCHE (CH) 2019-09-04 EP disclosed
US-20190144457-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-05-16 US disclosed
EP-2007787-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES Novartis AG (CH) 2008-12-31 EP disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 WO disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO 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 (8 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-10654857-B2 Bicyclic compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors ENPP2, LPAR1, LPAR2 NR1H2 2836/4885PDE4B 977/4885USP2 3010/4885
US-20200216457-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS ENPP2, LPAR1, LPAR2 NR1H2 2836/4885PDE4B 977/4885USP2 3010/4885
US-10669268-B2 Bicyclic derivatives CCNY, BICRA, UQCRB NR1H2 1573/4885PDE4B 1862/4885USP2 4634/4885
US-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 NR1H2 531/4885PDE4B 3578/4885USP2 2685/4885
US-10913745-B2 Octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors ENPP2, TPX2, PRAP1 NR1H2 4464/4885PDE4B 2201/4885USP2 1422/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB NR1H2 1573/4885PDE4B 1862/4885USP2 4634/4885
US-20080194549-A1 Organic Compounds REN, ACE, OTC NR1H2 2620/4885PDE4B 1099/4885USP2 4135/4885
US-20190144457-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS ENPP2, LPAR1, LPAR2 NR1H2 2836/4885PDE4B 977/4885USP2 3010/4885

“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.