SCHEMBL4047022

SCHEMBL4047022

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.55
CAMKK2 Q96RR4 1/20 0.55
SLC1A5 Q15758 2/20 0.51
TAAR1 Q96RJ0 2/20 0.48
CSNK1E P49674 1/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.46
CETP P11597 1/20 0.43
MEP1B Q16820 1/20 0.42
AOC3 Q16853 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NR1H3 Q13133 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
PTGES O14684 1/20 0.40

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
SCHEMBL4044072 0.88 CSNK1E (0.48) CALM1CAMKK2SLC1A5CSNK1ETSHR
SCHEMBL8125895 0.82 KMT2A (0.52) CALM1CAMKK2TAAR1ALDH1A1CETP
SCHEMBL8347358 0.82 KMT2A (0.52) CALM1CAMKK2TAAR1ALDH1A1CETP
SCHEMBL13760890 0.79 MEP1B (0.49) CALM1CAMKK2SLC1A5TAAR1TSHR
SCHEMBL3351417 0.79 PTGES (0.47) CALM1CAMKK2TAAR1TSHRCETP
SCHEMBL4044419 0.79 CSNK1E (0.55) CSNK1E
Hydrochloric Acid SCHEMBL4666757 0.78 PTGES (0.47) CALM1CAMKK2TAAR1TSHRALDH1A1
SCHEMBL165644 0.76 BCHE (0.61)
SCHEMBL4214871 0.76 BCHE (0.61)
SCHEMBL7159796 0.75 TAAR1 (0.52) TAAR1AOC3

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

“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.