SCHEMBL5124197

SCHEMBL5124197

CC(C)(C)c1ccc(NC(=S)N2CCC3(CC2)CC(c2ccc(C(C)(C)C)cc2)=NO3)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.41
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPY2R P49146 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
KIF11 P52732 1/20 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
SCHEMBL5125492 0.96 RAB9A (0.44) PDGFRBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5131403 0.95 LMNA (0.45) PDGFRBNPC1RAB9AMAPTNPSR1
SCHEMBL5130724 0.95 NPY2R (0.44) PDGFRBMAPTNPY2RLMNATRPV1
SCHEMBL5126881 0.95 MAPT (0.42) PDGFRBMAPTNPSR1NPY2RALDH1A1
SCHEMBL5129553 0.95 MAPT (0.44) MAPTNPSR1NPY2RSMN1; SMN2ALDH1A1
SCHEMBL5130874 0.87 TRPV1 (0.48) MAPTNPSR1ALDH1A1TRPV1
SCHEMBL5125662 0.87 LMNA (0.53) MAPTNPSR1LMNA
SCHEMBL5119339 0.87 MEN1 (0.44) PDGFRBNPC1RAB9AMAPTNPY2R
SCHEMBL5012288 0.84 LMNA (0.33) PDGFRBMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL5124924 0.84 NPY2R (0.50) MAPTNPSR1NPY2RALDH1A1LMNA

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
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 PDGFRB 2494/4885NPC1 785/4885RAB9A 2540/4885

“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.