SCHEMBL5120146

SCHEMBL5120146

COc1cccc(C2=NOC3(CCN(C(=O)Nc4ccccc4Oc4ccccc4)CC3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
MAPT P10636 2/20 0.49
HSD17B10 Q99714 1/20 0.49
NPY5R Q15761 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
S1PR2 O95136 1/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
CCR4 P51679 1/20 0.42
PYGM P11217 1/20 0.42

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
SCHEMBL5121848 0.94 HSD17B10 (0.56) HTTMAPTHSD17B10NPY5RSMN1; SMN2
SCHEMBL5117476 0.92 S1PR2 (0.46) SMN1; SMN2S1PR2ALDH1A1MAPK1PKM
SCHEMBL5131274 0.88 NPY5R (0.50) HTTMAPTHSD17B10NPY5RSMN1; SMN2
SCHEMBL5012789 0.88 PYGM (0.41) HTTMAPTHSD17B10ALDH1A1POLB
SCHEMBL5119954 0.88 KMT2A (0.58) HTTMAPTHSD17B10NPY5RSMN1; SMN2
SCHEMBL5124929 0.88 ALDH1A1 (0.53) HTTMAPTNPY5RSMN1; SMN2ALDH1A1
SCHEMBL5129054 0.88 NPY5R (0.49) HTTMAPTHSD17B10NPY5RSMN1; SMN2
SCHEMBL5121952 0.88 S1PR2 (0.47) SMN1; SMN2S1PR2ALDH1A1POLBMAPK1
SCHEMBL5131342 0.88 NPY5R (0.49) HTTMAPTHSD17B10NPY5RSMN1; SMN2
SCHEMBL5121286 0.87 SMN1; SMN2 (0.55) HTTMAPTNPY5RSMN1; SMN2ALDH1A1

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 HTT 50/4885MAPT 161/4885HSD17B10 1219/4885

“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.