SCHEMBL5360730

SCHEMBL5360730

CC(C)(C)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1cccc(N3CCNCC3)c1O2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.66
MDH2 P40926 2/20 0.42
EGFR P00533 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
UTS2R Q9UKP6 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
HTR1A P08908 1/20 0.38
HTR3A P46098 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ALDH2 P05091 1/20 0.37
CHRM1 P11229 1/20 0.37
CES1 P23141 1/20 0.37
ALDH3A1 P30838 1/20 0.37
HTR7 P34969 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL5361668 0.88 HTR6 (0.66) HTR6EGFRSMN1; SMN2LMNAMAPT
SCHEMBL5364893 0.87 HTR6 (0.65) HTR6EGFRMAPTNPSR1HTR1A
SCHEMBL5364715 0.87 HTR6 (0.82) HTR6EGFRLMNAHTR1AALDH1A1
SCHEMBL5366532 0.85 HTR6 (0.61) HTR6EGFRSMN1; SMN2LMNAMAPT
SCHEMBL5372213 0.83 HTR6 (0.68) HTR6SMN1; SMN2LMNAMAPTHTT
SCHEMBL5360955 0.82 HTR6 (0.80) HTR6EGFRLMNAALDH3A1HTR7
SCHEMBL5357019 0.82 HTR6 (0.64) HTR6SMN1; SMN2LMNAMAPTGAA
SCHEMBL5361817 0.82 HTR6 (0.64) HTR6SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL5356843 0.81 HTR6 (0.70) HTR6EGFRLMNAHTR1AALDH1A1
SCHEMBL5361675 0.80 HTR6 (0.82) HTR6SMN1; SMN2LMNAMAPTHTR1A

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 1/4885MDH2 1461/4885EGFR 1718/4885

“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.