SCHEMBL4043229

SCHEMBL4043229

N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(I)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.49
BCHE P06276 5/20 0.48
F2 P00734 2/20 0.44
LMNA P02545 1/20 0.42
CSNK1E P49674 1/20 0.42
TACR1 P25103 1/20 0.41

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
SCHEMBL6887672 1.00 BACE1 (0.49) BACE1BCHEF2LMNACSNK1E
Hydrochloric Acid SCHEMBL7112444 0.99 BACE1 (0.48) BACE1BCHEF2LMNACSNK1E
SCHEMBL3356792 0.87 BACE1 (0.59) BACE1
Hydrochloric Acid SCHEMBL3348659 0.86 BACE1 (0.58) BACE1
SCHEMBL496172 0.85 BCHE (0.61) BACE1BCHEF2LMNACSNK1E
SCHEMBL7951036 0.85 BCHE (0.61) BACE1BCHEF2LMNACSNK1E
SCHEMBL2605624 0.85 BCHE (0.61) BACE1BCHEF2LMNACSNK1E
SCHEMBL3353939 0.85 BCHE (0.61) BACE1BCHEF2LMNACSNK1E
SCHEMBL3357197 0.85 FNTA (0.49) BACE1BCHEF2LMNACSNK1E
SCHEMBL4045124 0.85 FNTA (0.49) BACE1BCHEF2LMNACSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
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-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 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
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 (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 BACE1 4/4885BCHE 12/4885F2 1807/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BACE1 7/4885BCHE 8/4885F2 2890/4885
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof APP, BACE1, BCHE BACE1 2/4885BCHE 3/4885F2 452/4885

“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.