SCHEMBL5124669

SCHEMBL5124669

O=C(Nc1cccc(Br)c1)N1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
FAAH O00519 1/20 0.46
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.43
APAF1 O14727 1/20 0.43
GRK2 P25098 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5130354 0.89 ALDH1A1 (0.54) POLBFAAHTRPM8ALDH1A1MAPT
SCHEMBL5117042 0.89 TRPM8 (0.51) TRPM8
SCHEMBL5130937 0.89 CA1 (0.42) CA1CA2KMT2ATRPM8TRPV1
SCHEMBL5125858 0.89 SMN1; SMN2 (0.54) POLBCA1CA2FAAHALDH1A1
SCHEMBL5129894 0.89 KMT2A (0.48) POLBFAAHKMT2ATRPM8ALDH1A1
SCHEMBL5123635 0.88 NPSR1 (0.54) POLBCA1CA2FAAHKDM4E
SCHEMBL5131273 0.88 CYP3A4 (0.57) POLBFAAHALDH1A1
SCHEMBL5120071 0.88 ALDH1A1 (0.54) POLBFAAHKDM4EKMT2AALDH1A1
SCHEMBL5128997 0.85 HTT (0.47) POLBFAAHKDM4EMAPTHTT
SCHEMBL5119726 0.85 SMN1; SMN2 (0.59) FAAHALDH1A1MAPTLMNAHTT

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 POLB 3770/4885CA1 2904/4885CA2 2127/4885

“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.