SCHEMBL5361987

SCHEMBL5361987

O=C1c2cccc(N3CCNCC3)c2Oc2cccc(F)c2N1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.60
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
EGFR P00533 2/20 0.42
ADRB1 P08588 1/20 0.40
CHRM5 P08912 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HTR1A P08908 2/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR5A P47898 1/20 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 0.89 HTR6 (0.65) HTR6ADRA1DADRA1AADRA1BEGFR
SCHEMBL5363674 0.88 HTR6 (0.59) HTR6ADRA1DADRA1AADRA1BEGFR
SCHEMBL5361156 0.85 HTR6 (0.68) HTR6ADRA1DADRA1AADRA1BEGFR
SCHEMBL5356843 0.84 HTR6 (0.70) HTR6ADRA1DADRA1AADRA1BEGFR
SCHEMBL5364715 0.84 HTR6 (0.82) HTR6ADRA1DADRA1AADRA1BEGFR
SCHEMBL5366505 0.83 HTR6 (0.74) HTR6EGFRALDH1A1HTR1A
SCHEMBL5365717 0.83 HTR6 (0.58) HTR6ADRB1ALDH1A1HTR1A
SCHEMBL5357019 0.81 HTR6 (0.64) HTR6KDM4ECYP1A2CYP2C19
SCHEMBL5361668 0.81 HTR6 (0.66) HTR6ADRA1DADRA1AADRA1BEGFR
SCHEMBL5360932 0.81 HTR6 (0.55) HTR6ADRA1DADRA1AADRA1BADRB1

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-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-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 1/4885ADRA1D 6/4885ADRA1A 17/4885

“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.