SCHEMBL5251

SCHEMBL5251

[CH2]OCC1CCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
LMNA P02545 1/20 0.39
SLC1A3 P43003 3/20 0.35
SLC1A2 P43004 3/20 0.35
SLC1A1 P43005 3/20 0.35
CHRM5 P08912 2/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
PARP15 Q460N3 2/20 0.33
PARP10 Q53GL7 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32

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
SCHEMBL12258 1.00
SCHEMBL5494 1.00 CTSL (0.39) CTSLCTSBCTSKLMNASLC1A3
SCHEMBL245776 0.97
SCHEMBL5243 0.91
SCHEMBL131877 0.84
SCHEMBL23039739 0.75 CTSL (0.41) CTSLCTSBCTSKLMNASLC1A3
SCHEMBL16239892 0.75 CTSL (0.41) CTSLCTSBCTSKLMNASLC1A3
SCHEMBL11682621 0.75 CTSL (0.41) CTSLCTSBCTSKLMNASLC1A3
SCHEMBL869115 0.75 CTSL (0.41) CTSLCTSBCTSKLMNASLC1A3
SCHEMBL379081 0.75 CTSL (0.41) CTSLCTSBCTSKLMNASLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
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-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2021-01-21 US disclosed
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl HOFFMANN-LA ROCHE INC. (US) 2020-12-01 US disclosed
US-20200339570-A1 BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
US-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2020-07-02 US disclosed
US-20200199155-A1 CONDENSED [1,4] DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-06-25 US disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
US-10669285-B2 Condensed [1,4] diazepine compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-06-02 US disclosed
WO-2012020035-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 US disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO disclosed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (13 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-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 CTSL 119/4885CTSB 29/4885CTSK 7/4885
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 CTSL 3105/4885CTSB 1796/4885CTSK 859/4885
US-10669285-B2 Condensed [1,4] diazepine compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors LPAR1, ENPP2, LPCAT1 CTSL 735/4885CTSB 245/4885CTSK 341/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 CTSL 3582/4885CTSB 3500/4885CTSK 4349/4885
US-10913745-B2 Octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors ENPP2, TPX2, PRAP1 CTSL 168/4885CTSB 124/4885CTSK 435/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 CTSL 3585/4885CTSB 3355/4885CTSK 4251/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB CTSL 3481/4885CTSB 2360/4885CTSK 2981/4885
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 CTSL 3620/4885CTSB 1999/4885CTSK 3497/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR CTSL 2974/4885CTSB 2593/4885CTSK 3940/4885
US-20200199155-A1 CONDENSED [1,4] DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS LPAR1, ENPP2, LPCAT1 CTSL 735/4885CTSB 245/4885CTSK 341/4885
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC CTSL 663/4885CTSB 925/4885CTSK 1063/4885
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE CTSL 625/4885CTSB 1150/4885CTSK 1193/4885
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl NPY1R, NPY2R, DECR1 CTSL 3677/4885CTSB 2050/4885CTSK 3547/4885

“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.