SCHEMBL5124305

SCHEMBL5124305

O=C(NCCc1ccccc1)N1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TPSAB1 Q15661 1/20 0.43
KMT2A Q03164 2/20 0.42
EPHX2 P34913 2/20 0.42
EPHX1 P07099 1/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
NAMPT P43490 1/20 0.41

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
SCHEMBL5124233 0.93 EPHX2 (0.50) ALDH1A1LMNAEPHX2EPHX1
SCHEMBL5120181 0.93 KMT2A (0.47) ALDH1A1LMNAKMT2AEPHX2EPHX1
SCHEMBL5129908 0.90 NPC1 (0.46) ALDH1A1LMNATPSAB1KMT2AEPHX2
SCHEMBL5129122 0.90 TP53 (0.45) ALDH1A1LMNANAMPT
SCHEMBL5012943 0.90 ESRRG (0.46) ALDH1A1LMNAKMT2AEPHX2EPHX1
SCHEMBL5124319 0.89 KMT2A (0.50) TPSAB1KMT2AMEN1
SCHEMBL5129693 0.89 ALDH1A1 (0.61) ALDH1A1LMNAKMT2AMEN1
SCHEMBL16175603 0.84 KMT2A (0.41) KMT2ADRD2SIGMAR1
SCHEMBL15838523 0.83 NPC1 (0.52) ALDH1A1KMT2AEPHX2MEN1
SCHEMBL5124827 0.82 KMT2A (0.54) KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
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 ALDH1A1 511/4885LMNA 875/4885TPSAB1 78/4885

“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.