SCHEMBL5455796

SCHEMBL5455796

Cn1nccc1C(=O)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
HRH3 Q9Y5N1 9/20 0.46
TMEM97 Q5BJF2 5/20 0.46
SIGMAR1 Q99720 5/20 0.46
HTR1A P08908 2/20 0.46
HRH2 P25021 2/20 0.46
HRH1 P35367 2/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL5464881 0.82 KDM4E (0.60) KDM4EHRH3TMEM97SIGMAR1HTR1A
SCHEMBL5459847 0.81 HRH3 (0.45) KDM4EHRH3TMEM97SIGMAR1HTR1A
SCHEMBL5459085 0.79 L3MBTL3 (0.52) KDM4EHRH3TMEM97SIGMAR1HTR1A
SCHEMBL5459697 0.79 L3MBTL3 (0.57) KDM4EHRH3TMEM97SIGMAR1HTR1A
SCHEMBL5465885 0.79 KDM4E (0.60) KDM4EHRH3TMEM97SIGMAR1HTR1A
SCHEMBL5457320 0.78 HRH3 (0.44) HRH3TMEM97SIGMAR1HTR1AHRH2
SCHEMBL5465760 0.78 TSHR (0.50) KDM4EHRH3TMEM97SIGMAR1HTR1A
SCHEMBL5457290 0.78 TMEM97 (0.47) KDM4EHRH3TMEM97SIGMAR1HTR1A
SCHEMBL5459964 0.78 MEN1 (0.56) KDM4EPKMHRH3TMEM97SIGMAR1
SCHEMBL5466137 0.78 KDM4E (0.67) KDM4EHRH3TMEM97SIGMAR1HTR1A

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 ATM 2453/4885KDM4E 1975/4885PKM 1774/4885

“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.