SCHEMBL249891

SCHEMBL249891

NC(CO)C(=O)NCCCCC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.48
NMT1 P30419 5/20 0.46
NMT2 O60551 4/20 0.46
SIGMAR1 Q99720 2/20 0.44
REN P00797 1/20 0.42
EPHX1 P07099 1/20 0.42
BCHE P06276 1/20 0.41
CHRNB2 P17787 4/20 0.41
CHRNB4 P30926 4/20 0.41
CHRNA3 P32297 4/20 0.41
CHRNA4 P43681 4/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRM1 Q13255 2/20 0.41
ADAMTS4 O75173 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL9425211 1.00 METAP2 (0.48) METAP2NMT1NMT2SIGMAR1REN
SCHEMBL8056055 1.00 METAP2 (0.48) METAP2NMT1NMT2SIGMAR1REN
SCHEMBL10431764 0.89 EPHX1 (0.50) METAP2NMT1NMT2SIGMAR1REN
SCHEMBL8043089 0.78 METAP2 (0.40) METAP2RENEPHX1DPP7
SCHEMBL10632207 0.78 REN (0.50) METAP2NMT1NMT2SIGMAR1REN
SCHEMBL10632213 0.78 REN (0.50) METAP2NMT1NMT2SIGMAR1REN
SCHEMBL18559838 0.78 CHRNB2 (0.55) NMT1NMT2SIGMAR1CHRNB2CHRNB4
SCHEMBL8696270 0.78 SIGMAR1 (0.49) NMT1NMT2SIGMAR1EPHX1ADAMTS4
SCHEMBL3723188 0.77 TDP1 (0.44) EPHX1
SCHEMBL8061026 0.77 METAP2 (0.42) METAP2SIGMAR1RENEPHX1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588196-B1 INHIBITION OF INFLAMMATION BYSIMULTANEOUS BLOCKADE OF MULTIPLE PROSTANOID RECEPTORS ALLERGAN INC (US) 2018-01-24 EP disclosed
EP-2588196-B1 INHIBITION OF INFLAMMATION BYSIMULTANEOUS BLOCKADE OF MULTIPLE PROSTANOID RECEPTORS ALLERGAN INC (US) 2018-01-24 EP disclosed
US-8901159-B2 Inhibition of inflammation by simultaneous blockade of multiple prostanoid receptors ALLERGAN, INC. (US) 2014-12-02 US disclosed
CN-103998031-A Fatty acid amide hydrolase inhibitors for the treatment of pain ALLERGAN INC 2014-08-20 CN disclosed
US-20140187596-A1 FATTY ACID AMIDE HYDROLASE INHIHIBITORS FOR TREATING PAIN ALLERGAN, INC. (US) 2014-07-03 US disclosed
EP-2588196-A2 INHIBITION OF INFLAMMATION BYSIMULTANEOUS BLOCKADE OF MULTIPLE PROSTANOID RECEPTORS Allergan, Inc. (US) 2013-05-08 EP disclosed
CN-103079565-A Inhibition of inflammation bysimultaneous blockade of multiple prostanoid receptors ALLERGAN INC 2013-05-01 CN disclosed
US-20120329843-A1 FATTY ACID AMIDE HYDROLASE INHIHIBITORS FOR TREATING PAIN ALLERGAN, INC. 2012-12-27 US disclosed
WO-2012162416-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS FOR TREATING PAIN ALLERGAN, INC. (US) 2012-11-29 WO disclosed
US-20120077857-A1 INHIBITION OF INFLAMMATION BYSIMULTANEOUS BLOCKADE OF MULTIPLE PROSTANOID RECEPTORS ALLERGAN, INC. (US) 2012-03-29 US disclosed
WO-2012003477-A2 INHIBITION OF INFLAMMATION BYSIMULTANEOUS BLOCKADE OF MULTIPLE PROSTANOID RECEPTORS ALLERGAN, INC. (US) 2012-01-05 WO disclosed
US-7868032-B2 Prostamide receptor antagonists ALLERGAN, INC. (US) 2011-01-11 US disclosed
US-7868032-B2 Prostamide receptor antagonists ALLERGAN, INC. (US) 2011-01-11 US disclosed
US-20080096240-A1 NOVEL PROSTAMIDE RECEPTOR ANTAGONISTS WOODWARD DAVID F 2008-04-24 US disclosed
US-20080096240-A1 NOVEL PROSTAMIDE RECEPTOR ANTAGONISTS WOODWARD DAVID F 2008-04-24 US disclosed
US-5153327-A 7-Oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. (US) 1992-10-06 US disclosed
US-5100889-A Thromboxane A2 receptor antagonists, thromboxane synthetase inhibitor E. R. SQUIBB & SONS, INC. (US) 1992-03-31 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 (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-20120329843-A1 FATTY ACID AMIDE HYDROLASE INHIHIBITORS FOR TREATING PAIN FAAH, FAAH2, HRH2 METAP2 2900/4885NMT1 889/4885NMT2 742/4885
US-20140187596-A1 FATTY ACID AMIDE HYDROLASE INHIHIBITORS FOR TREATING PAIN FAAH, FAAH2, HRH2 METAP2 2900/4885NMT1 889/4885NMT2 742/4885
US-20080096240-A1 NOVEL PROSTAMIDE RECEPTOR ANTAGONISTS PTGIR, PTGER1, TBXA2R METAP2 3020/4885NMT1 1190/4885NMT2 1208/4885
US-20120077857-A1 INHIBITION OF INFLAMMATION BYSIMULTANEOUS BLOCKADE OF MULTIPLE PROSTANOID RECEPTORS LTB4R2, LTB4R, PTGIR METAP2 1714/4885NMT1 1496/4885NMT2 1499/4885

“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.