SCHEMBL5129936

SCHEMBL5129936

O=C(C=Cc1ccccc1Br)N1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
ATM Q13315 1/20 0.42
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5012287 1.00 HSD11B1 (0.42) HSD11B1ATMKMT2AMAPTL3MBTL1
SCHEMBL5012946 0.86 ATM (0.39) ATMKMT2AMAPTKDM4ERAB9A
SCHEMBL5124284 0.86 ATM (0.39) ATMKMT2AMAPTKDM4ERAB9A
SCHEMBL5015830 0.83 LMNA (0.45) ATMKMT2AL3MBTL1RAB9ANPC1
SCHEMBL5128958 0.83 LMNA (0.45) ATMKMT2AL3MBTL1RAB9ANPC1
SCHEMBL14033840 0.79 RAB9A (0.54) ATMKMT2AMAPTKDM4ERAB9A
SCHEMBL5124973 0.79 RAB9A (0.54) ATMKMT2AMAPTKDM4ERAB9A
SCHEMBL5129892 0.79 GPR183 (0.46) ATMKMT2AMAPTRAB9ANPC1
SCHEMBL5116128 0.79 RAB9A (0.54) ATMKMT2AMAPTKDM4ERAB9A
SCHEMBL16175725 0.78 CHRNB4 (0.47) ATMKMT2ACHRNB4CHRNA3CYP1A2

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 HSD11B1 901/4885ATM 4036/4885KMT2A 4006/4885

“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.