SCHEMBL5364893

SCHEMBL5364893

O=C1c2cccc(N3CCNCC3)c2Oc2ccccc2N1Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.65
ADRB1 P08588 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALDH2 P05091 1/20 0.44
CHRM1 P11229 1/20 0.44
CES1 P23141 1/20 0.44
ALDH3A1 P30838 1/20 0.44
EGFR P00533 2/20 0.43
HTR1A P08908 3/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HTR5A P47898 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRA1D P25100 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
SCHEMBL5357019 0.92 HTR6 (0.64) HTR6ALDH3A1MAPT
SCHEMBL5361156 0.92 HTR6 (0.68) HTR6ADRB1ALDH3A1EGFRHTR1A
SCHEMBL5361817 0.90 HTR6 (0.64) HTR6ADRB1HTR1ANPSR1MAPT
SCHEMBL8263965 0.90 HTR6 (0.56) HTR6ADRB1HTR1AHTR2AHTR7
SCHEMBL5366505 0.90 HTR6 (0.74) HTR6ALDH1A1CHRM1ALDH3A1EGFR
SCHEMBL5366734 0.90 HTR6 (0.64) HTR6ADRB1EGFRHTR1AHTR5A
SCHEMBL5361668 0.90 HTR6 (0.66) HTR6ALDH1A1ALDH2CHRM1CES1
SCHEMBL5360932 0.89 HTR6 (0.55) HTR6ADRB1ALDH1A1ALDH2ALDH3A1
SCHEMBL5366499 0.89 HTR6 (0.58) HTR6ADRB1ALDH1A1MAPTTDP1
SCHEMBL5356843 0.89 HTR6 (0.70) HTR6ALDH1A1ALDH2CHRM1CES1

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 1/4885ADRB1 18/4885ALDH1A1 1336/4885

“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.