SCHEMBL2400918

SCHEMBL2400918

Cc1oc(C(C)(C)C)cc1C(=O)N1CCC2(CC1)CC(C(=O)NCC(C)C)=NO2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 4/20 0.43
MAPT P10636 3/20 0.43
GLA P06280 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
ITGB3 P05106 4/20 0.36
ITGB1 P05556 4/20 0.36
ITGAV P06756 4/20 0.36
ITGA2B P08514 4/20 0.36
ITGA5 P08648 3/20 0.36
PKM P14618 1/20 0.35
CYP26A1 O43174 3/20 0.35
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL6411397 0.85 ALDH1A1 (0.42) ALDH1A1NPSR1MAPTGLAKMT2A
SCHEMBL15309110 0.85 ALDH1A1 (0.51) ALDH1A1NPSR1MAPTGLAKMT2A
SCHEMBL6410702 0.84 ALDH1A1 (0.43) ALDH1A1NPSR1MAPTGLAKMT2A
SCHEMBL2399960 0.82 ALDH1A1 (0.41) ALDH1A1NPSR1MAPTGLAKMT2A
SCHEMBL2399133 0.76 AVPR1A (0.45) ALDH1A1KMT2AMEN1
SCHEMBL2402442 0.76 FASN (0.41) GPR119ITGB3ITGB1ITGAVITGA2B
SCHEMBL2400895 0.76 POLB (0.46) ALDH1A1KMT2AGPR119
SCHEMBL15309178 0.75 ALDH1A1 (0.42) ALDH1A1NPSR1MAPTGLAKMT2A
SCHEMBL2399175 0.74 KMT2A (0.47) ALDH1A1KMT2AMEN1ITGB3ITGB1
SCHEMBL2402955 0.74 KMT2A (0.47) ALDH1A1NPSR1MAPTKMT2AMEN1

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
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 US disclosed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 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 (2 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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 ALDH1A1 412/4885NPSR1 2599/4885MAPT 4329/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 ALDH1A1 156/4885NPSR1 2694/4885MAPT 3594/4885

“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.