SCHEMBL2399331

SCHEMBL2399331

O=C(COc1cccc(Cl)c1)N1CCC2(CC=NO2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.61
ENPP2 Q13822 6/20 0.52
MAPT P10636 4/20 0.48
POLB P06746 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
ATXN2 Q99700 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL6411459 0.81 FKBP1A (0.58) FKBP1AENPP2MAPTPOLBMEN1
SCHEMBL6411463 0.79 FKBP1A (0.56) FKBP1AENPP2MAPTPOLBMEN1
SCHEMBL15309104 0.78 PKM (0.52)
SCHEMBL15309154 0.75 RAB9A (0.58) MAPTPOLBMEN1KMT2ARAB9A
SCHEMBL15134821 0.74 GAA (0.74) FKBP1AENPP2MAPTPOLBMEN1
SCHEMBL656547 0.74 FKBP1A (0.72) FKBP1AENPP2MAPTPOLBMEN1
SCHEMBL2402439 0.74 ALDH1A1 (0.52) FKBP1AENPP2MAPTPOLBMEN1
SCHEMBL15309125 0.73 GRM5 (0.54)
SCHEMBL6410978 0.73 FKBP1A (0.48) FKBP1AENPP2MAPTPOLBMEN1
SCHEMBL2399304 0.72 FKBP1A (0.48) FKBP1AENPP2MAPTPOLBMEN1

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 2 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 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

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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 FKBP1A 3177/4885ENPP2 3412/4885MAPT 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.