SCHEMBL5014503

SCHEMBL5014503

CC(C)(C)c1ccc(C(=O)C=CN2CCC3(CC2)CC(c2ccc(C(C)(C)C)cc2)=NO3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
USP2 O75604 3/20 0.42
NPC1 O15118 3/20 0.42
ALOX12 P18054 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
HTT P42858 2/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5011232 0.96 KMT2A (0.41) ALDH1A1MAPTKMT2AUSP2NPC1
SCHEMBL5014491 0.96 KMT2A (0.46) ALDH1A1MAPTKMT2AUSP2NPC1
SCHEMBL5014374 0.95 NPSR1 (0.39) ALDH1A1MAPTKMT2AUSP2NPC1
SCHEMBL5015750 0.91 TRPV1 (0.41) ALDH1A1MAPTKMT2AUSP2NPC1
SCHEMBL5011325 0.90 MAPT (0.35) ALDH1A1MAPTKMT2AUSP2NPC1
SCHEMBL5014418 0.89 CA1 (0.43) ALDH1A1MAPTKMT2AUSP2NPC1
SCHEMBL5015816 0.88 MAPT (0.40) ALDH1A1MAPTKMT2AUSP2NPC1
SCHEMBL5012767 0.87 MAPT (0.43) ALDH1A1MAPTKMT2AUSP2NPC1
SCHEMBL5015807 0.86 RAB9A (0.46) ALDH1A1MAPTKMT2AUSP2NPC1
SCHEMBL5014487 0.86 TRPV1 (0.44) ALDH1A1MAPTKMT2AUSP2NPC1

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 7 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
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP 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 ALDH1A1 511/4885MAPT 161/4885KMT2A 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.