SCHEMBL4378121

SCHEMBL4378121

CCOCCOC[C@H]1CCCC(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.35
ALOX5 P09917 1/20 0.32
NOS1 P29475 1/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL9865629 0.90 IRAK4 (0.37) IRAK4ALOX5
SCHEMBL5215591 0.90 IRAK4 (0.37) IRAK4ALOX5
SCHEMBL21180014 0.81 IRAK4 (0.39) IRAK4NOS1
SCHEMBL15727499 0.81 IRAK4 (0.39) IRAK4NOS1
SCHEMBL10101216 0.79 IRAK4 (0.38) IRAK4PDCD1LG2CD274
SCHEMBL14285588 0.78 IRAK4 (0.41) IRAK4PDCD1LG2CD274
SCHEMBL5991543 0.78 IRAK4 (0.41) IRAK4PDCD1LG2CD274
SCHEMBL4378117 0.75 IRAK4 (0.37) IRAK4
SCHEMBL4378128 0.75 IRAK4 (0.37) IRAK4
SCHEMBL14285557 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631355-B1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN INC (US) 2014-08-13 EP disclosed
EP-1817033-B1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN INC (US) 2009-11-18 EP disclosed
EP-1722795-B1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN INC (US) 2008-05-07 EP disclosed
US-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents ELWORTHY TODD R 2008-03-06 US disclosed
US-7326716-B2 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2008-02-05 US disclosed
US-7271183-B2 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC (US) 2007-09-18 US disclosed
EP-1817033-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE Allergan, Inc. (US) 2007-08-15 EP disclosed
US-7179820-B2 Piperidinyl prostaglandin E analogs ALLERGAN, INC. (US) 2007-02-20 US disclosed
EP-1722795-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS Allergan, Inc. (US) 2006-11-22 EP disclosed
WO-2006058080-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN, INC. (US) 2006-06-01 WO disclosed
US-6977260-B2 administering to an animal having ocular hypertension a piperidynly analog; a container adapted to dispense the ophthalmic solution in a metered form ALLERGAN, INC. (US) 2005-12-20 US disclosed
EP-1589027-A1 PROCESSES FOR PRODUCTION OF NUCLEOSIDES Ajinomoto Co., Inc. (JP) 2005-10-26 EP disclosed
EP-1585729-A1 2-PIPERIDONE DERIVATIVES AS PROSTAGLANDIN AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-10-19 EP disclosed
WO-2005072735-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. (US) 2005-08-11 WO disclosed
US-20050171062-A1 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2005-08-04 US disclosed
US-20050164990-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. 2005-07-28 US disclosed
WO-2004108215-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. (US) 2004-12-16 WO disclosed
US-20040248854-A1 Piperidinyl prostaglandin E analogs ALLERGAN, INC. 2004-12-09 US disclosed
WO-2004063158-A1 2-PIPERIDONE DERIVATIVES AS PROSTAGLANDIN AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-07-29 WO disclosed
US-20040142969-A1 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC 2004-07-22 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 (5 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-20050164990-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS PTGIR, PTGDR, PTGER1 IRAK4 2972/4885ALOX5 37/4885NOS1 170/4885
US-20050171062-A1 Treatment of inflammatory bowel disease SLC10A2, GUCY1B1, PTGER1 IRAK4 830/4885ALOX5 41/4885NOS1 120/4885
US-20040248854-A1 Piperidinyl prostaglandin E analogs PTGIR, PTGER1, PTGS1 IRAK4 3561/4885ALOX5 41/4885NOS1 121/4885
US-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents C3AR1, C1R, HRH4 IRAK4 1060/4885ALOX5 631/4885NOS1 316/4885
US-20040142969-A1 2-Piperidone derivatives as prostaglandin agonists PTGER1, PTGER2, PTGER4 IRAK4 1196/4885ALOX5 107/4885NOS1 565/4885

“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.