Sugi Predict

Sugi Predict / Compounds / SCHEMBL13306385

SCHEMBL13306385

SCHEMBL13306385

CCCCCN1CCOc2c(I)cc(C(=O)OC)cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.39
▸ ESR1 P03372 2/20 0.38
▸ HTR4 Q13639 3/20 0.38
▸ CYP2C9 P11712 1/20 0.36
▸ RARB P10826 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ GRM2 Q14416 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYSLTR2 Q9NS75 1/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33
▸ LMNA P02545 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
SCHEMBL3350982 0.97 HTR4 (0.40) MGLLESR1HTR4CYP2C9KDM4E
SCHEMBL3347147 0.87 ESR1 (0.42) ESR1HTR4CYP2C9KDM4ELMNA
SCHEMBL3350806 0.83 SMN1; SMN2 (0.42) MGLLESR1HTR4CYP2C9KDM4E
SCHEMBL3350535 0.81 HTR4 (0.43) HTR4CYP2C9KDM4EALDH1A1
SCHEMBL18593266 0.80 CYP2C9 (0.54) MGLLCYP2C9TLR8GRM2KDM4E
SCHEMBL13306386 0.79 MGLL (0.38) MGLLESR1GRM2
SCHEMBL13306389 0.79 GLRA3 (0.39) CYP2C9RARBRARGTLR8CYSLTR2
SCHEMBL3348067 0.76 CYP2C9 (0.53) CYP2C9KDM4EALDH1A1ALOX15CASP1
SCHEMBL3349063 0.76 GLRA3 (0.40) HTR4CYP2C9KDM4ECYSLTR2CYSLTR1
SCHEMBL3356312 0.76 ESR1 (0.37) MGLLESR1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 — — US 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-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

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

For each of this compound's patents that has machine-readable text (1 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-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 MGLL 1893/4885ESR1 2689/4885HTR4 2994/4885

“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.