SCHEMBL5128808

SCHEMBL5128808

CC(C)(C)c1ccc(C=CC(=O)N2CCC3(CC2)CC(c2ccc(C4CCCCC4)cc2)=NO3)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 4/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GPR183 P32249 4/20 0.39
CYP1A2 P05177 1/20 0.36
CCR2 P41597 2/20 0.35

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
SCHEMBL5129547 0.90 NPC1 (0.57) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5130740 0.89 MAPT (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5128851 0.87 HPGD (0.53) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5130589 0.86 NPC1 (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5116128 0.86 RAB9A (0.54) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5012233 0.83 CNR2 (0.48) MAPTALDH1A1
SCHEMBL5012253 0.83 ALDH1A1 (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5012255 0.83 ALDH1A1 (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5128864 0.82 NPC1 (0.48) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5011325 0.81 MAPT (0.35) MAPTALDH1A1NPC1RAB9ASMN1; 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 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
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 MAPT 161/4885ALDH1A1 511/4885NPC1 785/4885

“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.