SCHEMBL5459038

SCHEMBL5459038

O=C(c1c[nH]c2ccccc12)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.59
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TMEM97 Q5BJF2 5/20 0.48
SIGMAR1 Q99720 5/20 0.48
HTR1A P08908 2/20 0.48
HRH2 P25021 2/20 0.48
HRH1 P35367 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL8445412 0.82 KMT2A (0.69) GFERMEN1KMT2ASMN1; SMN2HRH3
SCHEMBL5456497 0.82 ALDH1A1 (0.62) MEN1KMT2ATMEM97SIGMAR1HTR1A
SCHEMBL5457085 0.81 TMEM97 (0.52) KMT2ATMEM97SIGMAR1HTR1AHRH2
SCHEMBL5452349 0.81 HTT (0.60) MEN1KMT2ATMEM97SIGMAR1HTR1A
SCHEMBL5465885 0.81 KDM4E (0.60) TMEM97SIGMAR1HTR1AHRH2HRH1
SCHEMBL5461810 0.79 KDM2B (0.53) KMT2ATMEM97SIGMAR1HTR1AHRH2
SCHEMBL5460599 0.77 TSHR (0.60) MEN1KMT2ATMEM97SIGMAR1HTR1A
SCHEMBL5468207 0.77 POLB (0.56) MEN1KMT2ATMEM97SIGMAR1HTR1A
SCHEMBL5459107 0.77 TMEM97 (0.45) MEN1KMT2ASMN1; SMN2TMEM97SIGMAR1
SCHEMBL5459697 0.77 L3MBTL3 (0.57) TMEM97SIGMAR1HTR1AHRH2HRH1

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 1969/4885MEN1 4497/4885KMT2A 390/4885

“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.