SCHEMBL2946324

SCHEMBL2946324

NCC(O)CP(=O)(O)CC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GABRR1 P24046 1/20 0.44
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
METAP1 P53582 1/20 0.41
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL2947951 1.00 CYP1A2 (0.45) CYP1A2CYP3A4GABRR1GABBR2GABBR1
SCHEMBL2947948 1.00 CYP1A2 (0.45) CYP1A2CYP3A4GABRR1GABBR2GABBR1
Hydrochloric Acid SCHEMBL5372867 0.98 CYP1A2 (0.44) CYP1A2CYP3A4GABRR1GABBR2GABBR1
Hydrochloric Acid SCHEMBL9417109 0.98 CYP1A2 (0.44) CYP1A2CYP3A4GABRR1GABBR2GABBR1
SCHEMBL13444636 0.92 GABRR1 (0.47) CYP1A2CYP3A4GABRR1GABBR2GABBR1
SCHEMBL13444633 0.92 GABRR1 (0.47) CYP1A2CYP3A4GABRR1GABBR2GABBR1
SCHEMBL5379956 0.83 CYP1A2 (0.48) CYP1A2CYP3A4METAP1
SCHEMBL14559784 0.83 CYP1A2 (0.48) CYP1A2CYP3A4METAP1
SCHEMBL14559785 0.83 CYP1A2 (0.48) CYP1A2CYP3A4METAP1
SCHEMBL4047356 0.83 CYP1A2 (0.48) CYP1A2CYP3A4METAP1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372620-A2 METHODS FOR RESTORING COGNITIVE FUNCTION FOLLOWING SYSTEMIC STRESS Saegis Pharmaceuticals (US) 2004-01-02 EP claimed
US-20020187977-A1 Methods for restoring cognitive function following systemic stress SAEGIS PHARMACEUTICALS, INC. 2002-12-12 US claimed
WO-2002074293-A2 METHODS FOR RESTORING COGNITIVE FUNCTION FOLLOWING SYSTEMIC STRESS SAEGIS PHARMACEUTICALS INC (US) 2002-09-26 WO claimed
US-5545631-A GAMMA-AMINOBUTYRIC ACID ANTAGONIST; TREATS PETIT-MAL TYPE EPILEPSIES CIBA-GEIGY CORPORATION (US) 1996-08-13 US claimed
EP-0463560-B1 New antiepileptic agents CIBA GEIGY AG (CH) 1995-10-25 EP claimed
US-5300679-A Antagonists to 4-aminobutyric acid CIBA-GEIGY CORPORATION (US) 1994-04-05 US claimed
EP-0463560-A1 New antiepileptic agents CIBA-GEIGY AG (CH) 1992-01-02 EP claimed
US-8828974-B2 Substituted propane phosphinic acid derivatives AVENTIS PHARMACEUTICALS INC. (US) 2014-09-09 US disclosed
US-20120208784-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. (US) 2012-08-16 US disclosed
US-8183231-B2 Substituted propane phosphinic acid derivatives AVENTIS PHARMACEUTICALS INC. (US) 2012-05-22 US disclosed
EP-1765850-B1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMA INC (US) 2010-12-01 EP disclosed
US-7749985-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2010-07-06 US disclosed
US-7687540-B2 Substituted propane phosphinic acid esters AVENTIS PHARMACEUTICALS INC. (US) 2010-03-30 US disclosed
US-20020187977-A1 Methods for restoring cognitive function following systemic stress SAEGIS PHARMACEUTICALS, INC. 2002-12-12 US disclosed
WO-2002074293-A2 METHODS FOR RESTORING COGNITIVE FUNCTION FOLLOWING SYSTEMIC STRESS SAEGIS PHARMACEUTICALS INC (US) 2002-09-26 WO disclosed
US-5545631-A GAMMA-AMINOBUTYRIC ACID ANTAGONIST; TREATS PETIT-MAL TYPE EPILEPSIES CIBA-GEIGY CORPORATION (US) 1996-08-13 US disclosed
EP-0463560-B1 New antiepileptic agents CIBA GEIGY AG (CH) 1995-10-25 EP disclosed
US-5407922-A GABA antagonists CIBA-GEIGY CORPORATION (US) 1995-04-18 US disclosed
US-5229379-A Gamma-aminobutyric acid antagonists CIBA-GEIGY CORPORATION (US) 1993-07-20 US disclosed
EP-0463560-A1 New antiepileptic agents CIBA-GEIGY AG (CH) 1992-01-02 EP 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-20020187977-A1 Methods for restoring cognitive function following systemic stress CRH, BDNF, CHAT CYP1A2 3291/4885CYP3A4 3826/4885GABRR1 420/4885
US-20120208784-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES PHOSPHO1, PTEN, PLCB1 CYP1A2 3286/4885CYP3A4 4499/4885GABRR1 217/4885

“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.