SCHEMBL5459749

SCHEMBL5459749

COc1cccc(C(=O)N2CCN(c3ccc4c(c3)CCN(C3CCCC3)CC4)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.55
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 4/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
PDE4B Q07343 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 3/20 0.52
NAMPT P43490 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 2/20 0.52
L3MBTL3 Q96JM7 1/20 0.51
PARP14 Q460N5 1/20 0.51
PARP10 Q53GL7 1/20 0.51
CHRM4 P08173 1/20 0.49
HTR1A P08908 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49

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
SCHEMBL5461558 0.89 KDM4E (0.58) KDM2BALDH1A1KDM4ELMNATSHR
SCHEMBL5466062 0.88 HSD11B1 (0.50) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL5466155 0.87 PKM (0.55) ALDH1A1KDM4ELMNAL3MBTL1KMT2A
SCHEMBL5465885 0.86 KDM4E (0.60) ALDH1A1KDM4ELMNAL3MBTL1L3MBTL3
SCHEMBL5454932 0.85 L3MBTL1 (0.65) KDM2BALDH1A1KDM4ELMNATSHR
SCHEMBL5464902 0.84 L3MBTL1 (0.53) ALDH1A1KDM4ELMNATSHRL3MBTL1
SCHEMBL5465825 0.83 LMNA (0.58) ALDH1A1KDM4ELMNATSHRL3MBTL1
SCHEMBL5459221 0.83 HRH3 (0.45) ALDH1A1KDM4ELMNATSHRL3MBTL1
SCHEMBL4509813 0.83 PDE4B (0.62) KDM2BALDH1A1KDM4ELMNATSHR
SCHEMBL5461554 0.82 POLB (0.60) ALDH1A1LMNATSHRKMT2ANAMPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US claimed

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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B KDM2B 409/4885ALDH1A1 1805/4885KDM4E 1975/4885

“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.