SCHEMBL4042654

SCHEMBL4042654

N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CCCc2ccc(C3CC3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.48
CTSD P07339 6/20 0.48
OPRK1 P41145 2/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRB3 P13945 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
F2 P00734 1/20 0.37
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL4041822 0.87 ALDH1A1 (0.50) BACE1CTSDALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL5225065 0.86 ALDH1A1 (0.49) BACE1CTSDALDH1A1KDM4EHTT
SCHEMBL4045255 0.85 KDM1A (0.49) BACE1CTSDALDH1A1KDM4EHTT
SCHEMBL4041567 0.85 KDM1A (0.49) BACE1CTSDALDH1A1KDM4EHTT
SCHEMBL4040686 0.80 BACE1 (0.42) BACE1CTSDF2BACE2
SCHEMBL3347460 0.80 MAOA (0.46) BACE1CTSDALDH1A1KDM4EHTT
SCHEMBL7048871 0.80 MAOA (0.46) BACE1CTSDALDH1A1KDM4EHTT
SCHEMBL5218704 0.80 MAOA (0.46) BACE1CTSDALDH1A1KDM4EHTT
SCHEMBL5219956 0.80 MAOA (0.46) BACE1CTSDALDH1A1KDM4EHTT
SCHEMBL5223365 0.78 CTSD (0.49) BACE1CTSDF2BACE2

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 BACE1 2/4885CTSD 1669/4885OPRK1 76/4885

“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.