SCHEMBL4045255

SCHEMBL4045255

COc1ccc2c(c1)[C@H](NC[C@@H](O)[C@@H](N)Cc1ccccc1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.49
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
BACE1 P56817 5/20 0.48
CTSD P07339 4/20 0.48
KMT2A Q03164 1/20 0.47
BACE2 Q9Y5Z0 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL4041567 1.00 KDM1A (0.49) KDM1AMAOAMAOBBACE1CTSD
SCHEMBL5223365 0.94 CTSD (0.49) KDM1AMAOAMAOBBACE1CTSD
SCHEMBL3913679 0.89 BACE1 (0.56) KDM1AMAOAMAOBBACE1CTSD
SCHEMBL13306179 0.89 BACE1 (0.56) KDM1AMAOAMAOBBACE1CTSD
SCHEMBL7613304 0.85 BACE1 (0.60) KDM1AMAOAMAOBBACE1CTSD
SCHEMBL7613311 0.85 BACE1 (0.60) KDM1AMAOAMAOBBACE1CTSD
SCHEMBL4042654 0.85 BACE1 (0.48) BACE1CTSDKMT2ABACE2ALDH1A1
SCHEMBL4041822 0.84 ALDH1A1 (0.50) BACE1CTSDKMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5225065 0.83 ALDH1A1 (0.49) BACE1CTSDKMT2AALDH1A1KDM4E
SCHEMBL3347460 0.78 MAOA (0.46) MAOAMAOBBACE1CTSDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof APP, BACE1, BCHE KDM1A 2922/4885MAOA 16/4885MAOB 5/4885

“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.