SCHEMBL5443045

SCHEMBL5443045

C=CC[N]C(C=C)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
CYP2C19 P33261 2/20 0.31
CPA1 P15085 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
BLM P54132 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8819890 0.80 ALDH1A1 (0.31) TSHR
SCHEMBL2052166 0.72 LMNA (0.35) CYP2C19SLC6A2SLC6A4BLMSLC6A3
SCHEMBL4254564 0.70
SCHEMBL7359479 0.69
SCHEMBL671581 0.65
SCHEMBL1162564 0.65
SCHEMBL3314197 0.64
SCHEMBL628091 0.62
SCHEMBL3260842 0.60
SCHEMBL6430077 0.59 ABCC4 (0.39) GRIK1GRIK2CYP2C19CPA1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176207-B2 Anticoagulants; antithrombotic agents in the treatment and prevention of thrombosis SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-13 US claimed
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-22 US claimed
US-7026323-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-04-11 US claimed
US-6995156-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-02-07 US claimed
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-24 US claimed
US-6861424-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-01 US claimed
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-17 US claimed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP claimed
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 US claimed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO claimed
WO-1997046549-A1 ANTI-NEURODEGENERATIVELY EFFECTIVE XANTHENE DERIVATIVES NOVARTIS AG (CH) 1997-12-11 WO claimed
EP-0083312-B1 AQUEOUS BASED FIRE FOAM COMPOSITIONS CONTAINING HYDROCARBYL SULFIDE TERMINATED OLIGOMER STABILIZERS CIBA-GEIGY AG (CH) 1986-03-05 EP claimed
US-4439329-A Aqueous based fire fighting foam compositions containing hydrocarbyl sulfide terminated oligomer stabilizers CIBA-GEIGY CORPORATION (US) 1984-03-27 US claimed
EP-0083312-A1 Aqueous based fire foam compositions containing hydrocarbyl sulfide terminated oligomer stabilizers CIBA-GEIGY AG (CH) 1983-07-06 EP claimed
US-7176207-B2 Anticoagulants; antithrombotic agents in the treatment and prevention of thrombosis SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-22 US disclosed
US-7026323-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-04-11 US disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO disclosed
US-4439329-A Aqueous based fire fighting foam compositions containing hydrocarbyl sulfide terminated oligomer stabilizers CIBA-GEIGY CORPORATION (US) 1984-03-27 US disclosed
EP-0083312-A1 Aqueous based fire foam compositions containing hydrocarbyl sulfide terminated oligomer stabilizers CIBA-GEIGY AG (CH) 1983-07-06 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 (4 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-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R GRIK1 3424/4885GRIK2 4141/4885CYP2C19 486/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R GRIK1 3424/4885GRIK2 4141/4885CYP2C19 486/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B GRIK1 2811/4885GRIK2 3866/4885CYP2C19 705/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R GRIK1 3495/4885GRIK2 4171/4885CYP2C19 532/4885

“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.