SCHEMBL4047020

SCHEMBL4047020

COc1cccc(CN(CC[C@H](O)[CH]Cc2ccccc2)Cc2cccc(OC(N)=O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 3/20 0.49
CALM1 P0DP23 1/20 0.47
CAMKK2 Q96RR4 1/20 0.47
NR1H3 Q13133 4/20 0.42
MEP1B Q16820 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAS2R14 Q9NYV8 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
PTGES O14684 1/20 0.39

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
SCHEMBL4039300 0.88 SLC1A5 (0.44) SLC1A5NR1H3MEP1BALDH1A1TSHR
SCHEMBL4048154 0.73 BCHE (0.43) BCHE
SCHEMBL7591136 0.72 KMT2A (0.42)
SCHEMBL4047022 0.72 CALM1 (0.55) SLC1A5CALM1CAMKK2NR1H3MEP1B
SCHEMBL4044417 0.72 RORC (0.42) SLC1A5NR1H3BCHEACHEL3MBTL1
SCHEMBL4041765 0.72 ADRB3 (0.46) ALDH1A1KDM4EACHE
SCHEMBL8423493 0.69 CALM1 (0.64) SLC1A5CALM1CAMKK2MEP1BALDH1A1
SCHEMBL4041249 0.69 MTNR1A (0.48) BCHEL3MBTL1
SCHEMBL7054663 0.68 DNM1 (0.55) ALDH1A1KDM4EBCHECHRM2
SCHEMBL27593038 0.68 DNM1 (0.55) ALDH1A1KDM4EBCHECHRM2

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 SLC1A5 907/4885CALM1 605/4885CAMKK2 662/4885

“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.