SCHEMBL5363674

SCHEMBL5363674

O=C1c2cccc(N3CCNCC3)c2Oc2c(F)cccc2N1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.59
ADRA1D P25100 5/20 0.47
ADRA1A P35348 5/20 0.47
ADRA1B P35368 5/20 0.47
EGFR P00533 4/20 0.46
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ALDH2 P05091 1/20 0.41
CHRM1 P11229 1/20 0.41
CES1 P23141 1/20 0.41
ALDH3A1 P30838 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 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
SCHEMBL5356074 0.91 HTR6 (0.59) HTR6ADRA1DADRA1AADRA1BEGFR
SCHEMBL5360129 0.90 HTR6 (0.51) HTR6ADRA1DADRA1AADRA1BDRD2
Hydrochloric Acid SCHEMBL5364749 0.89 HTR6 (0.50) HTR6ADRA1DADRA1AADRA1BDRD2
SCHEMBL5361987 0.88 HTR6 (0.60) HTR6ADRA1DADRA1AADRA1BEGFR
SCHEMBL5364893 0.86 HTR6 (0.65) HTR6ADRA1DADRA1AADRA1BEGFR
SCHEMBL5356843 0.84 HTR6 (0.70) HTR6ADRA1DADRA1AADRA1BEGFR
SCHEMBL5364715 0.84 HTR6 (0.82) HTR6ADRA1DADRA1AADRA1BEGFR
SCHEMBL5361156 0.82 HTR6 (0.68) HTR6ADRA1DADRA1AADRA1BEGFR
SCHEMBL5361668 0.81 HTR6 (0.66) HTR6ADRA1DADRA1AADRA1BEGFR
SCHEMBL5366505 0.81 HTR6 (0.74) HTR6EGFRALDH1A1CHRM1ALDH3A1

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 6 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

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.