SCHEMBL5361668

SCHEMBL5361668

O=C1c2cccc(N3CCNCC3)c2Oc2ccc(Cl)cc2N1Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.66
LMNA P02545 3/20 0.47
PIM1 P11309 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 3/20 0.43
ALDH2 P05091 2/20 0.43
ALDH3A1 P30838 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
KMT2A Q03164 3/20 0.43
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
MEN1 O00255 2/20 0.42
HTR1A P08908 2/20 0.42
ADRA2A P08913 2/20 0.42
HTR2A P28223 2/20 0.42
CHRM1 P11229 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL5372213 0.95 HTR6 (0.68) HTR6LMNAPIM1SMN1; SMN2MAPT
SCHEMBL5357019 0.90 HTR6 (0.64) HTR6LMNASMN1; SMN2MAPTALDH3A1
SCHEMBL5361675 0.90 HTR6 (0.82) HTR6LMNAPIM1SMN1; SMN2MAPT
SCHEMBL5364893 0.90 HTR6 (0.65) HTR6MAPTALDH1A1ALDH2ALDH3A1
SCHEMBL5364715 0.89 HTR6 (0.82) HTR6LMNAALDH1A1ALDH2ALDH3A1
SCHEMBL5364738 0.88 HTR6 (0.79) HTR6LMNASMN1; SMN2MAPTALDH3A1
SCHEMBL5360730 0.88 HTR6 (0.66) HTR6LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL5361676 0.86 HTR6 (0.54) HTR6LMNAPIM1SMN1; SMN2ALDH1A1
SCHEMBL5366532 0.85 HTR6 (0.61) HTR6LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL5360955 0.84 HTR6 (0.80) HTR6LMNAALDH3A1ADRA1DADRA1A

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 1/4885LMNA 1520/4885PIM1 4388/4885

“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.