SCHEMBL5120896

SCHEMBL5120896

CCCCCc1ccc(C=CC(=O)N2CCC3(CC2)CC(c2ccccc2)=NO3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 4/20 0.42
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
TRPA1 O75762 1/20 0.41
TRPM2 O94759 1/20 0.41
PLA2G1B P04054 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
GAA P10253 1/20 0.39

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
SCHEMBL5125609 0.99 GPR183 (0.41) GPR183CYSLTR2CYSLTR1TRPA1TRPM2
SCHEMBL5125782 0.97 GPR183 (0.42) GPR183KDM4ELMNAMAPTHPGD
SCHEMBL5124973 0.82 RAB9A (0.54) GPR183KDM4ELMNAMAPTNPC1
SCHEMBL14033840 0.82 RAB9A (0.54) GPR183KDM4ELMNAMAPTNPC1
SCHEMBL5116128 0.82 RAB9A (0.54) GPR183KDM4ELMNAMAPTNPC1
SCHEMBL5012944 0.81 ATG4B (0.46) PLA2G1B
SCHEMBL5129892 0.81 GPR183 (0.46) GPR183LMNAMAPTNPC1ALDH1A1
SCHEMBL5125605 0.80 ATG4B (0.47) PLA2G1B
SCHEMBL5130505 0.79 MAPT (0.39) GPR183KDM4ELMNAMAPTNPC1
SCHEMBL5130740 0.78 MAPT (0.46) GPR183KDM4ELMNAMAPTNPC1

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 3 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-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 GPR183 1976/4885CYSLTR2 2466/4885CYSLTR1 1573/4885

“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.