SCHEMBL5363785

SCHEMBL5363785

N#Cc1cccc(CN2C(=O)c3cccc(N4CCNCC4)c3Oc3ccccc32)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.62
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
DRD2 P14416 3/20 0.41
HTR1A P08908 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
BRD4 O60885 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRB1 P08588 1/20 0.38
DPP4 P27487 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
TACR1 P25103 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL5364893 0.88 HTR6 (0.65) HTR6HTR1AADRA1DADRA1AADRA1B
SCHEMBL5357019 0.87 HTR6 (0.64) HTR6MAPT
SCHEMBL5366734 0.87 HTR6 (0.64) HTR6HTR1ASLC6A2SLC6A4ADRB1
SCHEMBL5366505 0.87 HTR6 (0.74) HTR6HTR1ASLC6A2SLC6A4MAPT
SCHEMBL5361817 0.87 HTR6 (0.64) HTR6HTR1AADRB1MAPT
SCHEMBL5360234 0.85 HTR6 (0.83) HTR6BRD4SLC6A4MAPT
SCHEMBL5361814 0.84 HTR6 (0.61) HTR6SIRT2SIRT1HTR1AADRB1
SCHEMBL5361156 0.82 HTR6 (0.68) HTR6HTR1AADRA1DADRA1AADRA1B
SCHEMBL5366499 0.82 HTR6 (0.58) HTR6SIRT2SIRT1DRD2DRD3
SCHEMBL8263965 0.81 HTR6 (0.56) HTR6DRD2HTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229984-B2 Dibenzoxazepinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-06-12 US claimed
US-20060154914-A1 Dibenzoxazepinone derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-13 US claimed
US-7229984-B2 Dibenzoxazepinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-06-12 US disclosed
US-7229984-B2 Dibenzoxazepinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-06-12 US disclosed
US-7229984-B2 Dibenzoxazepinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-06-12 US disclosed
US-20060154914-A1 Dibenzoxazepinone derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-13 US disclosed
WO-2006061126-A2 DIBENZOXAZEPINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 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-20060154914-A1 Dibenzoxazepinone derivatives and uses thereof HTR6, BDKRB1, HTR7 HTR6 1/4885SIRT2 2584/4885SIRT1 2134/4885

“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.