Sugi Predict

Sugi Predict / Compounds / SCHEMBL338807

SCHEMBL338807

SCHEMBL338807

[C]1CCCOc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 1/20 0.46
▸ ICAM1 P05362 1/20 0.46
▸ ITGAL P20701 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CRHBP P24387 2/20 0.41
▸ CRHR2 Q13324 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KEAP1 Q14145 1/20 0.31

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
SCHEMBL433176 0.87 ITGB2 (0.50) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL1450831 0.87 ITGB2 (0.50) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL158579 0.73 — —
SCHEMBL8023323 0.71 ITGB2 (0.77) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL3543729 0.71 TSHR (0.32) —
SCHEMBL4505371 0.71 ITGB2 (0.77) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL9351 0.71 ITGB2 (0.77) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL29408297 0.71 ITGB2 (0.77) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL8026963 0.69 ITGB2 (0.72) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL8020827 0.69 ITGB2 (0.72) ITGB2ICAM1ITGALSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159522-A1 BCL-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 — — US claimed
US-8039455-B2 Macrocyclic compounds useful as BACE inhibitors NOVARTIS AG (CH) 2011-10-18 — — US claimed
US-8008250-B2 1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-9,10-dimethyl-2-oxa-9,12-diaza-bicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione; secretase inhibitor; neurological, vascular disorders, beta-amyloid generation/aggregation; Alzheimer's disease, Down's Syndrome, cognitive impairment, amyloid neuropathies NOVARTIS AG (CH) 2011-08-30 — — US claimed
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof NOVARTIS AG 2010-01-28 — — US claimed
US-20090312370-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-12-17 — — US claimed
US-7612055-B2 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2009-11-03 — — US claimed
US-20090170878-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-07-02 — — US claimed
EP-2046761-A2 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2009-04-15 — — EP claimed
EP-2046760-A1 MACROCYCLIC LACTAMS Novartis AG (CH) 2009-04-15 — — EP claimed
US-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS NOVARTIS AG (CH) 2009-01-29 — — US claimed
WO-2008009734-A1 MACROCYCLIC LACTAMS NOVARTIS AG (CH) 2008-01-24 — — WO claimed
EP-1838680-A2 MACROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-10-03 — — EP claimed
WO-2007077004-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-07-12 — — WO claimed
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-03-29 — — US claimed
WO-2006074940-A2 MACROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 — — WO claimed
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — US claimed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 — — EP claimed
EP-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 — — EP claimed
US-4948806-A N-2,6-DIALKYL-OR N-2,6-DIALKOXYPHENYL-N'-ARYLALKYLUREA WARNER-LAMBERT COMPANY (US) 1990-08-14 — — US claimed
EP-0335375-A2 Antihyperlipidemic and antiatherosclerotic compounds and compositions WARNER-LAMBERT COMPANY (US) 1989-10-04 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20090312370-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS BACE2, BACE1, APP ITGB2 2980/4885ICAM1 2662/4885ITGAL 4244/4885
US-20230159522-A1 BCL-2 INHIBITOR BCL2, BCL2A1, BCL2L1 ITGB2 3529/4885ICAM1 3053/4885ITGAL 4770/4885
US-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS SLC10A2, SLC10A1, ASAH2 ITGB2 3654/4885ICAM1 3847/4885ITGAL 4350/4885
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof RPS11, MRPL21, RPS4Y1 ITGB2 3794/4885ICAM1 4844/4885ITGAL 3693/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 ITGB2 3794/4885ICAM1 4844/4885ITGAL 3693/4885
US-20090170878-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS BACE2, BACE1, APP ITGB2 2980/4885ICAM1 2662/4885ITGAL 4244/4885
US-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 ITGB2 1115/4885ICAM1 2380/4885ITGAL 2915/4885

“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.