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Sugi Predict / Compounds / SCHEMBL3353443

SCHEMBL3353443

SCHEMBL3353443

CCCCC1c2cc(C(=O)OC)ccc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TP53 P04637 4/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ UCHL1 P09936 1/20 0.38
▸ USP30 Q70CQ3 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
SCHEMBL3350869 0.90 GHSR (0.41) PDE4APDE4BPDE4CPDE4DNR1H2
SCHEMBL13333727 0.83 GHSR (0.44) TP53CYP3A4CYP2C19NR1H2CYP2D6
SCHEMBL29405461 0.82 NR1H2 (0.43) MAPK1TSHRSMN1; SMN2TP53ALDH1A1
SCHEMBL10252162 0.77 MEN1 (0.42) PDE4APDE4BPDE4CPDE4DNR1H2
SCHEMBL30710404 0.77 LMNA (0.42) TSHRTP53LMNANR1H2UCHL1
SCHEMBL30710250 0.77 LMNA (0.42) TSHRTP53LMNANR1H2UCHL1
SCHEMBL30710500 0.77 TRPM8 (0.41) MAPK1NR1H2UCHL1USP30
SCHEMBL29560706 0.76 TRPV1 (0.52) —
SCHEMBL30710394 0.75 CHRM3 (0.41) ALDH1A1NR1H2UCHL1USP30HDAC1
SCHEMBL30645340 0.75 MTNR1B (0.46) —

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-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-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 — — 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-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 MAPK1 2548/4885TSHR 3190/4885SMN1; SMN2 548/4885
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 MAPK1 3409/4885TSHR 2085/4885SMN1; SMN2 1298/4885

“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.