Sugi Predict

Sugi Predict / Compounds / SCHEMBL5124284

SCHEMBL5124284

SCHEMBL5124284

CC(C)(C)c1ccc(C=CC(=O)N2CCC3(CC2)CC(c2ccccc2)=NO3)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ GPR183 P32249 1/20 0.35
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ ENPP2 Q13822 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
SCHEMBL5012946 1.00 ATM (0.39) ATMKMT2ATRPV1SMN1; SMN2NPC1
SCHEMBL5012287 0.86 HSD11B1 (0.42) ATMKMT2ANPC1RAB9AHPGD
SCHEMBL5129936 0.86 HSD11B1 (0.42) ATMKMT2ANPC1RAB9AHPGD
SCHEMBL5116128 0.85 RAB9A (0.54) ATMKMT2ATRPV1SMN1; SMN2NPC1
SCHEMBL5129547 0.80 NPC1 (0.57) KMT2ASMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL5129522 0.79 KMT2A (0.41) KMT2ATRPV1SMN1; SMN2MEN1CHRNB4
SCHEMBL5011120 0.78 KMT2A (0.42) KMT2ATRPV1SMN1; SMN2MEN1CHRNB4
SCHEMBL5128958 0.78 LMNA (0.45) ATMKMT2ANPC1ALDH1A1RAB9A
SCHEMBL5011125 0.78 KMT2A (0.42) KMT2ATRPV1SMN1; SMN2MEN1CHRNB4
SCHEMBL5015830 0.78 LMNA (0.45) ATMKMT2ANPC1ALDH1A1RAB9A

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 ATM 4036/4885KMT2A 4006/4885TRPV1 57/4885

“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.