SCHEMBL3350176

SCHEMBL3350176

CCCCC1CC1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.50
GABRR2 P28476 1/20 0.50
ALOX5 P09917 1/20 0.48
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.39
SLC1A2 P43004 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL1911431 1.00 GABRR1 (0.50) GABRR1GABRR2ALOX5HTTALDH1A1
SCHEMBL3493155 0.94 ALOX5 (0.56) GABRR1GABRR2ALOX5HTTALDH1A1
SCHEMBL3493080 0.94 ALOX5 (0.56) GABRR1GABRR2ALOX5HTTALDH1A1
SCHEMBL2411087 0.94 ALOX5 (0.56) GABRR1GABRR2ALOX5HTTALDH1A1
SCHEMBL24354392 0.92 ALOX5 (0.59) GABRR1GABRR2ALOX5ALDH1A1POLB
SCHEMBL3491458 0.92 ALOX5 (0.59) GABRR1GABRR2ALOX5ALDH1A1POLB
SCHEMBL17779527 0.92 ALOX5 (0.59) GABRR1GABRR2ALOX5ALDH1A1POLB
SCHEMBL21972780 0.92 ALOX5 (0.59) GABRR1GABRR2ALOX5ALDH1A1POLB
SCHEMBL11414522 0.92 ALOX5 (0.59) GABRR1GABRR2ALOX5ALDH1A1POLB
SCHEMBL301664 0.92 ALOX5 (0.59) GABRR1GABRR2ALOX5ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
CN-100366605-C Compounds to treat alzheimer's disease ELAN PHARM INC (US) 2008-02-06 CN disclosed
CN-101090883-A Substituted hydroxyethylamines ELAN PHARM INC (US) 2007-12-19 CN disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US disclosed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 US disclosed
EP-0205403-B1 PROCESS FOR THE MANUFACTURE OF CYCLOPROPYLAMINE CIBA-GEIGY AG (CH) 1989-08-30 EP disclosed
EP-0205403-A1 Process for the manufacture of cyclopropylamine CIBA-GEIGY AG (CH) 1986-12-17 EP disclosed
US-4590292-A FROM GAMMA-BUTYROLACTONE CIBA-GEIGY CORPORATION (US) 1986-05-20 US disclosed
US-4570008-A ORGANOLEPTICS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-02-11 US disclosed
US-4554095-A PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-11-19 US disclosed
US-4536330-A ORGANOLEPTICS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-08-20 US disclosed
US-4528142-A 1-Hydroxymethyl-2-acyl cyclopropane derivatives and esters thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-07-09 US disclosed
US-4500448-A PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-02-19 US disclosed
US-4481225-A ACETATE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-11-06 US disclosed
US-4435428-A Use in augmenting or enhancing the aroma or taste of foodstuff or chewing gum with the methyl carbonate of 1-hydroxymethyl-2-heptanoyl cyclopropane INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-03-06 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 (3 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-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT GABRR1 753/4885GABRR2 724/4885ALOX5 1122/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE GABRR1 2987/4885GABRR2 2853/4885ALOX5 2257/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP GABRR1 732/4885GABRR2 899/4885ALOX5 3534/4885

“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.