Sugi Predict

Sugi Predict / Compounds / SCHEMBL3347386

SCHEMBL3347386

SCHEMBL3347386

CCCCc1c[nH]c2ccc(C(=O)O)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 3/20 0.70
▸ HTR1A P08908 6/20 0.57
▸ HTR1B P28222 5/20 0.57
▸ HTR1D P28221 4/20 0.57
▸ HSD17B10 Q99714 3/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ KMT2A Q03164 2/20 0.55
▸ HTR2C P28335 2/20 0.55
▸ HTR5A P47898 2/20 0.55
▸ HTR6 P50406 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.52

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
SCHEMBL10983551 0.94 HTR7 (0.67) HTR7HTR1AHTR1BHTR1DHSD17B10
SCHEMBL10990700 0.94 HTR7 (0.67) HTR7HTR1AHTR1BHTR1DHSD17B10
SCHEMBL10991778 0.94 HTR7 (0.67) HTR7HTR1AHTR1BHTR1DHSD17B10
SCHEMBL5929995 0.91 HTR7 (0.74) HTR7HTR1AHTR1BHTR1DHSD17B10
SCHEMBL5432115 0.88 HTR7 (0.82) HTR7HTR1AHTR1BHTR1DHSD17B10
SCHEMBL4348714 0.87 HTR7 (0.72) HTR7HTR1AHTR1BHTR1DHSD17B10
SCHEMBL8297284 0.86 HTR7 (0.70) HTR7HTR1AHTR1BHTR1DHSD17B10
SCHEMBL9256337 0.86 HTR7 (0.70) HTR7HTR1AHTR1BHTR1DHSD17B10
SCHEMBL27334855 0.86 HTR7 (0.70) HTR7HTR1AHTR1BHTR1DHSD17B10
SCHEMBL9257648 0.84 HTR7 (0.68) HTR7HTR1AHTR1BHTR1DHSD17B10

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 13 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-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
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-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed
CN-1759095-A N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARM INC (US) 2006-04-12 — — CN disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 — — EP disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 — — US disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 — — WO 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 HTR7 950/4885HTR1A 211/4885HTR1B 310/4885
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 HTR7 3363/4885HTR1A 2279/4885HTR1B 1706/4885

“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.