SCHEMBL5128958

SCHEMBL5128958

O=C(C=Cc1cccc(Br)c1)N1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
HSD17B3 P37058 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
ATM Q13315 1/20 0.42
GPR183 P32249 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5015830 1.00 LMNA (0.45) LMNAHSD17B3CA1CA2KMT2A
SCHEMBL5012287 0.83 HSD11B1 (0.42) KMT2AMEN1RAB9APOLBNPC1
SCHEMBL5129936 0.83 HSD11B1 (0.42) KMT2AMEN1RAB9APOLBNPC1
SCHEMBL5124308 0.81 ACHE (0.59)
SCHEMBL5116128 0.80 RAB9A (0.54) LMNAKMT2AMEN1RAB9APOLB
SCHEMBL5129892 0.80 GPR183 (0.46) LMNAKMT2AMEN1RAB9APOLB
SCHEMBL5124973 0.80 RAB9A (0.54) LMNAKMT2AMEN1RAB9APOLB
SCHEMBL14033840 0.80 RAB9A (0.54) LMNAKMT2AMEN1RAB9APOLB
SCHEMBL5130740 0.78 MAPT (0.46) LMNAKMT2AMEN1RAB9APOLB
SCHEMBL5124669 0.78 POLB (0.49) LMNACA1CA2KMT2APOLB

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 LMNA 875/4885HSD17B3 1434/4885CA1 2904/4885

“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.