SCHEMBL3355147

SCHEMBL3355147

COc1cc(CNC[C@@H](O)[C@@H](N)Cc2ccccc2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
ATM Q13315 1/20 0.52
F2 P00734 1/20 0.50
TRPV1 Q8NER1 2/20 0.49
BCHE P06276 1/20 0.47
FOS P01100 1/20 0.46
TTR P02766 1/20 0.46
JUN P05412 1/20 0.46
NR3C1 P04150 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5221072 0.91 F2 (0.52) F2BCHEKDM4EPOLBMAPT
SCHEMBL3354597 0.86 F2 (0.54) GAAF2BCHEKDM4EKMT2A
SCHEMBL3354239 0.85 BCHE (0.48) F2BCHEKDM4EALOX15HSD17B10
SCHEMBL7613771 0.82 BCHE (0.56) TRPV1BCHE
SCHEMBL7613784 0.82 BCHE (0.56) TRPV1BCHE
SCHEMBL4214871 0.82 BCHE (0.61) BCHEKMT2A
SCHEMBL165644 0.82 BCHE (0.61) BCHEKMT2A
SCHEMBL3350556 0.82 ANPEP (0.53) ATMF2BCHEKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5348922 0.81 BCHE (0.60) BCHEKMT2A
Hydrochloric Acid SCHEMBL6110582 0.81 BCHE (0.60) BCHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
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-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 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

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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP GAA 106/4885ATM 2313/4885F2 1807/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT GAA 57/4885ATM 1839/4885F2 2890/4885
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 GAA 252/4885ATM 1783/4885F2 986/4885

“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.