SCHEMBL5124347

SCHEMBL5124347

CCc1ccccc1NC(=O)N1CCC2(CC1)CC(c1cccc(OC)c1)=NO2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.49
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.42
GRK2 P25098 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL5121396 0.94 NPY5R (0.47) NPY5RMAPTHTTHSD17B10SMN1; SMN2
SCHEMBL5121848 0.89 HSD17B10 (0.56) NPY5RMAPTHTTHSD17B10SMN1; SMN2
SCHEMBL5131274 0.89 NPY5R (0.50) NPY5RMAPTHTTHSD17B10SMN1; SMN2
SCHEMBL5129619 0.89 TRPV1 (0.48) MAPTALDH1A1KMT2ATRPV1MEN1
SCHEMBL5131342 0.88 NPY5R (0.49) NPY5RMAPTHTTHSD17B10SMN1; SMN2
SCHEMBL5119954 0.88 KMT2A (0.58) NPY5RMAPTHTTHSD17B10SMN1; SMN2
SCHEMBL5129054 0.88 NPY5R (0.49) NPY5RMAPTHTTHSD17B10SMN1; SMN2
SCHEMBL5123557 0.88 NPY5R (0.47) NPY5RMAPTHTTHSD17B10SMN1; SMN2
SCHEMBL5015690 0.88 GRK2 (0.41) MAPTHTTLMNAKMT2ANPC1
SCHEMBL5124310 0.88 LMNA (0.56) NPY5RMAPTHTTHSD17B10SMN1; 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 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 NPY5R 1148/4885MAPT 161/4885HTT 50/4885

“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.