SCHEMBL5454869

SCHEMBL5454869

COc1ccc(CC(=O)N2CCN(c3ccc4c(c3)CCN(C3CCCC3)CC4)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.58
MAPT P10636 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 3/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
TMEM97 Q5BJF2 4/20 0.51
SIGMAR1 Q99720 4/20 0.51
CHRM4 P08173 1/20 0.51
HTR1A P08908 1/20 0.51
CHRM5 P08912 1/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
HRH2 P25021 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
ADRA1A P35348 1/20 0.51
HRH1 P35367 1/20 0.51

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
SCHEMBL5458309 0.87 ME2 (0.56) GFERALDH1A1KMT2ATMEM97SIGMAR1
SCHEMBL5468405 0.87 KDM4E (0.67) MAPTALDH1A1KMT2ATMEM97SIGMAR1
SCHEMBL5467837 0.86 PANK3 (0.49) GFERMAPTL3MBTL1ALDH1A1TSHR
SCHEMBL5461558 0.85 KDM4E (0.58) MAPTL3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL5453428 0.85 KDM4E (0.52) ALDH1A1KMT2ATMEM97SIGMAR1CHRM4
SCHEMBL5464941 0.85 ME2 (0.58) ALDH1A1KMT2ASMN1; SMN2TMEM97SIGMAR1
SCHEMBL5455992 0.85 HRH3 (0.53) ALDH1A1TMEM97SIGMAR1CHRM4HTR1A
SCHEMBL5459927 0.82 SIGMAR1 (0.49) ALDH1A1TMEM97SIGMAR1CHRM4HTR1A
SCHEMBL5460606 0.81 ALDH1A1 (0.53) MAPTALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL5459210 0.81 MAPT (0.57) GFERMAPTKMT2ASMN1; SMN2HTR1A

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 GFER 1969/4885MAPT 1504/4885L3MBTL1 3089/4885

“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.