SCHEMBL5118051

SCHEMBL5118051

O=C(OCc1ccccc1)N1CCCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 5/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ENPP2 Q13822 1/20 0.43
ATXN2 Q99700 1/20 0.43
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42

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
Ammonia Solution, Strong SCHEMBL5123937 0.99 MEN1 (0.51) MEN1KMT2ANPSR1ALDH1A1ALOX15
SCHEMBL5012749 0.85 CHRNB4 (0.40) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL12901551 0.83 MEN1 (0.51) MEN1KMT2ANPSR1ALDH1A1ALOX15
SCHEMBL12901486 0.81 MEN1 (0.54) MEN1KMT2ANPSR1ALDH1A1ALOX15
SCHEMBL15837729 0.80 MAPT (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL541133 0.79 MEN1 (0.63) MEN1KMT2ANPSR1ALDH1A1ALOX15
SCHEMBL16175725 0.79 CHRNB4 (0.47) MEN1KMT2AALDH1A1CYP2C19CHRNB4
SCHEMBL12901552 0.78 MEN1 (0.48) MEN1KMT2ANPSR1ALDH1A1ALOX15
SCHEMBL15838523 0.78 NPC1 (0.52) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL3223048 0.77 MEN1 (0.54) MEN1KMT2ANPSR1ALDH1A1ALOX15

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 2 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 disclosed
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 MEN1 1834/4885KMT2A 4006/4885NPSR1 77/4885

“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.