SCHEMBL4044072

SCHEMBL4044072

COc1ccc(CN(CC[C@@H](O)[C@@H](N)Cc2ccccc2)Cc2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.48
SLC1A5 Q15758 1/20 0.46
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
LTA4H P09960 2/20 0.44
SLC6A4 P31645 1/20 0.43
ACHE P22303 1/20 0.43
CALM1 P0DP23 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
TSHR P16473 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MEP1B Q16820 1/20 0.42
NR1H3 Q13133 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 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
SCHEMBL4047022 0.88 CALM1 (0.55) CSNK1ESLC1A5ALDH1A1CALM1CAMKK2
SCHEMBL4044419 0.86 CSNK1E (0.55) CSNK1EPPARGPPARAMEN1KMT2A
SCHEMBL4782219 0.83 SLC6A4 (0.51) ALDH1A1NPC1POLBLTA4HSLC6A4
SCHEMBL6709371 0.81 LTA4H (0.44) CSNK1EALDH1A1NPC1POLBLTA4H
SCHEMBL6709369 0.81 LTA4H (0.44) CSNK1EALDH1A1NPC1POLBLTA4H
Hydrochloric Acid SCHEMBL7289226 0.80 LTA4H (0.44) CSNK1EALDH1A1NPC1POLBLTA4H
Hydrochloric Acid SCHEMBL6443043 0.80 LTA4H (0.44) CSNK1EALDH1A1NPC1POLBLTA4H
SCHEMBL5945486 0.78 LTA4H (0.53) NPC1POLBLTA4HMEN1KMT2A
SCHEMBL7278258 0.76 SLC6A4 (0.57) CSNK1EPOLBSLC6A4CYP1A2CYP2D6
SCHEMBL13817895 0.75 CSNK1E (0.60) CSNK1ESLC6A4CYP2D6

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 CSNK1E 873/4885SLC1A5 907/4885ALDH1A1 2036/4885

“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.