SCHEMBL5129054

SCHEMBL5129054

COc1cccc(C2=NOC3(CCN(C(=O)Nc4ccccc4Br)CC3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 5/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 4/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 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
SCHEMBL5121848 0.90 HSD17B10 (0.56) NPY5RSMN1; SMN2HTTMAPTHSD17B10
SCHEMBL5131274 0.90 NPY5R (0.50) NPY5RSMN1; SMN2HTTMAPTHSD17B10
SCHEMBL5119954 0.89 KMT2A (0.58) NPY5RSMN1; SMN2HTTMAPTHSD17B10
SCHEMBL5131342 0.89 NPY5R (0.49) NPY5RSMN1; SMN2HTTMAPTHSD17B10
SCHEMBL5124310 0.88 LMNA (0.56) NPY5RSMN1; SMN2HTTMAPTHSD17B10
SCHEMBL5124347 0.88 NPY5R (0.49) NPY5RSMN1; SMN2HTTMAPTHSD17B10
SCHEMBL5126816 0.88 NPY5R (0.48) NPY5RSMN1; SMN2HTTMAPTHSD17B10
SCHEMBL5120146 0.88 HTT (0.49) NPY5RSMN1; SMN2HTTMAPTHSD17B10
SCHEMBL16175520 0.88 HTT (0.43) HTTMAPTALDH1A1RAB9ALMNA
SCHEMBL5129812 0.88 LMNA (0.45) NPY5RSMN1; SMN2MAPTLMNAKMT2A

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 1148/4885SMN1; SMN2 79/4885HTT 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.