SCHEMBL2401050

SCHEMBL2401050

NC(=O)C1CCC(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.48
GABRR1 P24046 5/20 0.48
PLG P00747 1/20 0.44
PLAT P00750 1/20 0.44
LMNA P02545 1/20 0.44
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 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
SCHEMBL31243364 1.00 ACE (0.48) ACEGABRR1PLGPLATLMNA
SCHEMBL24906949 1.00 ACE (0.48) ACEGABRR1PLGPLATLMNA
SCHEMBL31243354 1.00 ACE (0.48) ACEGABRR1PLGPLATLMNA
SCHEMBL19718585 0.91 LMNA (0.43) ACEGABRR1PLGPLATLMNA
SCHEMBL15139867 0.90 ANPEP (0.44) ACEGABRR1PLGPLATLMNA
SCHEMBL15139777 0.90 ANPEP (0.44) ACEGABRR1PLGPLATLMNA
SCHEMBL1875216 0.90 ANPEP (0.44) ACEGABRR1PLGPLATLMNA
SCHEMBL813890 0.89 KDM4E (0.42) ACEPLGPLATLMNAKDM4E
SCHEMBL15542332 0.89 KDM4E (0.42) ACEPLGPLATLMNAKDM4E
SCHEMBL31022855 0.86 KDM4E (0.41) ACEPLGPLATLMNAKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1596656-A4 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-10-18 EP claimed
JP-2006517592-A 2006-07-27 JP claimed
EP-1596656-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-11-23 EP claimed
WO-2004072033-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-08-26 WO 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

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 ACE 360/4885GABRR1 704/4885PLG 1145/4885

“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.