SCHEMBL5015680

SCHEMBL5015680

C=CC(=Cc1ccc(C(C)(C)C)cc1)C(=O)N1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 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
SCHEMBL5130510 0.88 KMT2A (0.42) CHRNB4CHRNA3KMT2ASMN1; SMN2NPC1
SCHEMBL5015681 0.86 KMT2A (0.37) CHRNB4CHRNA3KMT2ASMN1; SMN2
SCHEMBL5118236 0.86 KMT2A (0.37) CHRNB4CHRNA3KMT2ASMN1; SMN2
SCHEMBL5116128 0.81 RAB9A (0.54) KMT2ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL5119948 0.80 KMT2A (0.38) KMT2ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL5012873 0.80 MEN1 (0.51) KMT2ASMN1; SMN2ABL1BCRALDH1A1
SCHEMBL5129522 0.78 KMT2A (0.41) CHRNB4CHRNA3KMT2ASMN1; SMN2ABL1
SCHEMBL5128792 0.78 KMT2A (0.37) KMT2ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL16175483 0.78 RAB9A (0.37) CHRNB4CHRNA3KMT2ASMN1; SMN2ABL1
SCHEMBL5011120 0.77 KMT2A (0.42) CHRNB4CHRNA3KMT2ASMN1; SMN2ABL1

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 5 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

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.