SCHEMBL5117097

SCHEMBL5117097

CC(C)(C)c1ccc(C(=CCN2CCC3(CC2)CC(c2ccccc2)=NO3)c2ccsc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
KMT2A Q03164 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
LMNA P02545 2/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
GMNN O75496 1/20 0.32

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
SCHEMBL5117094 1.00 CHRNB4 (0.35) CHRNB4CHRNA3KMT2ACHRNB2CHRNA4
SCHEMBL5012226 0.85 KMT2A (0.37) CHRNB4CHRNA3KMT2AMEN1
SCHEMBL5012229 0.85 KMT2A (0.37) CHRNB4CHRNA3KMT2AMEN1
SCHEMBL5129522 0.76 KMT2A (0.41) CHRNB4CHRNA3KMT2AMEN1
SCHEMBL5012987 0.75 ALDH1A1 (0.38) LMNAALDH1A1
SCHEMBL5012984 0.75 ALDH1A1 (0.38) LMNAALDH1A1
SCHEMBL5011125 0.75 KMT2A (0.42) CHRNB4CHRNA3KMT2AMEN1
SCHEMBL5011120 0.75 KMT2A (0.42) CHRNB4CHRNA3KMT2AMEN1
SCHEMBL5012873 0.73 MEN1 (0.51) KMT2ALMNAMEN1ALDH1A1TSHR
SCHEMBL5014491 0.72 KMT2A (0.46) CHRNB4CHRNA3KMT2AMEN1ALDH1A1

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-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 US 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-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders INA, SCN1A, SI CHRNB4 719/4885CHRNA3 764/4885KMT2A 4006/4885

“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.