SCHEMBL5117704

SCHEMBL5117704

S=C(NCC1CCCCC1)N1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL5127230 0.90 KMT2A (0.43) POLBRAB9AKMT2AMEN1ALDH1A1
SCHEMBL5121433 0.90 ALDH1A1 (0.40) RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5124118 0.88 KMT2A (0.38) POLBRAB9AKMT2AMEN1
SCHEMBL5130345 0.88 SMN1; SMN2 (0.37) POLBRAB9AKMT2AMEN1LMNA
SCHEMBL5015792 0.86 POLB (0.40) POLBRAB9ACHRNB4CHRNA3KMT2A
SCHEMBL5125997 0.84 ALDH1A1 (0.48) POLBCHRNB4CHRNA3KMT2AMEN1
SCHEMBL5128794 0.84 ALDH1A1 (0.48) POLBCHRNB4CHRNA3KMT2AMEN1
SCHEMBL15838003 0.79 ALDH1A1 (0.45) POLBCHRNB4CHRNA3KMT2AMEN1
SCHEMBL5121086 0.78 MAPT (0.52) CHRNB4CHRNA3KMT2AMEN1ALDH1A1
SCHEMBL5011250 0.77 KMT2A (0.38) RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US claimed
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 claimed
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 POLB 3770/4885RAB9A 2540/4885CHRNB4 719/4885

“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.