SCHEMBL3349155

SCHEMBL3349155

COc1ccc(CCNC[C@@H](O)[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ANPEP P15144 2/20 0.58
ERAP2 Q6P179 2/20 0.58
KMT2A Q03164 7/20 0.55
MEN1 O00255 5/20 0.55
ATM Q13315 1/20 0.54
ADRB2 P07550 3/20 0.51
ADRB3 P13945 4/20 0.50
SIGMAR1 Q99720 1/20 0.50
BCHE P06276 1/20 0.50
ADRB1 P08588 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LTA4H P09960 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
Hydrochloric Acid SCHEMBL5219220 0.99 ANPEP (0.57) KDM4EGAASMN1; SMN2TDP1ANPEP
SCHEMBL5382650 0.89 ANPEP (0.47) KDM4EGAASMN1; SMN2TDP1ANPEP
SCHEMBL4044665 0.88 ANPEP (0.55) GAASMN1; SMN2ANPEPERAP2ADRB2
SCHEMBL3347864 0.88 ANPEP (0.55) GAASMN1; SMN2ANPEPERAP2ADRB2
SCHEMBL4696783 0.88 ANPEP (0.55) GAASMN1; SMN2ANPEPERAP2ADRB2
SCHEMBL496056 0.88 ANPEP (0.55) GAASMN1; SMN2ANPEPERAP2ADRB2
SCHEMBL3353932 0.88 BCHE (0.52) KDM4ETDP1ANPEPERAP2KMT2A
Hydrochloric Acid SCHEMBL5219504 0.88 ANPEP (0.46) KDM4EGAASMN1; SMN2TDP1ANPEP
SCHEMBL3350556 0.87 ANPEP (0.53) KDM4ESMN1; SMN2ANPEPERAP2KMT2A
Hydrochloric Acid SCHEMBL5225498 0.87 BCHE (0.51) KDM4ETDP1ANPEPERAP2KMT2A

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 14 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-7612054-B2 Dibenzo[b,f]oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
EP-1651592-B1 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2009-04-29 EP disclosed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 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-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-05-17 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-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 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 (4 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 KDM4E 2432/4885GAA 106/4885SMN1; SMN2 330/4885
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof APP, BACE1, BCHE KDM4E 1788/4885GAA 2316/4885SMN1; SMN2 1239/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE KDM4E 242/4885GAA 127/4885SMN1; SMN2 457/4885
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 KDM4E 4082/4885GAA 252/4885SMN1; 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.