SCHEMBL3328784

SCHEMBL3328784

CC1CCC(=O)C(CC(=O)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 2/20 0.49
TLR4 O00206 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MT-CO2 P00403 2/20 0.40
ALOX5 P09917 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ACHE P22303 1/20 0.39
MCL1 Q07820 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP1A2 P05177 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL11820023 0.86 TRPV1 (0.43) ALDH1A1L3MBTL1KDM4ETLR4MT-CO2
SCHEMBL3325889 0.84 PLOD2 (0.43) ALDH1A1MAPTL3MBTL1KDM4ENPC1
SCHEMBL2993114 0.83 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1KDM4ENPC1
SCHEMBL11815188 0.82 ALDH1A1 (0.48) ALDH1A1MAPTL3MBTL1KDM4ENPC1
SCHEMBL3322059 0.81 MT-CO2 (0.43) ALDH1A1MAPTL3MBTL1TLR4MT-CO2
SCHEMBL11838776 0.78 KDM4E (0.66) ALDH1A1MAPTL3MBTL1KDM4ENPC1
SCHEMBL11815406 0.78 CHRNA7 (0.51) ALDH1A1MAPTL3MBTL1KDM4ELMNA
SCHEMBL3327919 0.77 KDM4E (0.73) ALDH1A1MAPTL3MBTL1KDM4ENPC1
SCHEMBL3320253 0.76 TLR4 (0.56) TLR4MT-CO2ALOX5
SCHEMBL11836745 0.76 KDM4E (0.71) ALDH1A1MAPTL3MBTL1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2813498-B1 Compounds for Alzheimer's disease MANFREDI JOHN (US) 2016-04-20 EP disclosed
EP-2139472-B1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-01-13 EP disclosed
EP-2139472-B1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-01-13 EP disclosed
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed
US-9034871-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-05-19 US disclosed
US-9034871-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-05-19 US disclosed
EP-2813498-A1 Compounds for Alzheimer's disease Manfredi, John (US) 2014-12-17 EP disclosed
WO-2014164222-A1 COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS MANFREDI JOHN (US) 2014-10-09 WO disclosed
EP-1809601-B1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2014-09-10 EP disclosed
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-04-16 US disclosed
EP-2000176-A1 Tetrahydroindole derivatives as NADPH Oxidase inhibitors GenKyo Tex (CH) 2008-12-10 EP disclosed
EP-2000176-A1 Tetrahydroindole derivatives as NADPH Oxidase inhibitors GenKyo Tex (CH) 2008-12-10 EP disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
WO-2008116926-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2008-10-02 WO disclosed
WO-2008116926-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2008-10-02 WO disclosed
WO-2007115306-A2 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2007-10-11 WO disclosed
US-3997557-A ANTIARRHYTHMIA, CNS DEPRESSANT, ANTIINFLAMMATORY, HYPOTENSIVE AMERICAN HOECHST CORPORATION (US) 1976-12-14 US disclosed
US-3931407-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1976-01-06 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 (2 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-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC ALDH1A1 1938/4885MAPT 657/4885L3MBTL1 191/4885
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction NCL, PSEN2, CCNO ALDH1A1 2795/4885MAPT 46/4885L3MBTL1 170/4885

“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.