SCHEMBL5213404

SCHEMBL5213404

CC1(C)C[C@H](CO)NC1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 6/20 0.37
CREBBP Q92793 1/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCZ Q05513 1/20 0.32
PRKCD Q05655 1/20 0.32
PRKD1 Q15139 1/20 0.32
PYGM P11217 1/20 0.32
HTT P42858 1/20 0.31
MAPT P10636 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
SCHEMBL1387675 1.00 PRKCA (0.37) PRKCACREBBPPDCD1CD274IRAK4
SCHEMBL5213410 1.00 PRKCA (0.37) PRKCACREBBPPDCD1CD274IRAK4
SCHEMBL8960364 0.81 BRD4 (0.37) PRKCACREBBPPDCD1CD274IRAK4
SCHEMBL8960384 0.81 BRD4 (0.37) PRKCACREBBPPDCD1CD274IRAK4
SCHEMBL1387503 0.81 BRD4 (0.37) PRKCACREBBPPDCD1CD274IRAK4
SCHEMBL17137125 0.80 IRAK4 (0.38) PRKCACREBBPIRAK4PYGM
SCHEMBL21338570 0.80 IRAK4 (0.38) PRKCACREBBPIRAK4PYGM
SCHEMBL17136876 0.80 IRAK4 (0.38) PRKCACREBBPIRAK4PYGM
SCHEMBL23298310 0.79 IRAK4 (0.33) PDCD1CD274IRAK4MAPT
SCHEMBL23298307 0.79 IRAK4 (0.33) PDCD1CD274IRAK4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
US-9714231-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-25 US disclosed
EP-2925741-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
US-20160280680-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-09-29 US disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-9181279-B2 Cyclic amine derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2015-11-10 US disclosed
US-9181279-B2 Cyclic amine derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2015-11-10 US disclosed
EP-1409455-B1 PROSTAGLANDIN ANALOGUES-AS EP4 RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2006-01-04 EP disclosed
US-6900336-B2 8-aza-11-deoxy prostaglandin analogues SYNTEX (U.S.A.) LLC (US) 2005-05-31 US disclosed
US-6849657-B2 2-pyrrolidone derivatives as prostanoid agonists SYNTEX (U.S.A.) LLC (US) 2005-02-01 US disclosed
CN-1529593-A 2-pyrrolidone derivatives as prostanoid agonists - 2004-09-15 CN disclosed
EP-1409455-A1 PROSTAGLANDIN ANALOGUES-AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-21 EP disclosed
EP-1408961-A1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-21 EP disclosed
US-20030120079-A1 Such as 7-((R)-2-((E)-3-(3-Benzyl-phenyl)-3-hydroxy-propenyl)-5-oxo-pyrrolidin-1-yl)-heptanoic acid; side effects reduction SYNTEX (U.S.A.) LLC 2003-06-26 US disclosed
US-20030064964-A1 2-pyrrolidone derivatives as prostanoid agonists ONO PHARMACEUTICAL CO., LTD. (JP) 2003-04-03 US disclosed
WO-2003008377-A1 PROSTAGLANDIN ANALOGUES_AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-30 WO disclosed
WO-2003007941-A1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-30 WO 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 (3 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-20030064964-A1 2-pyrrolidone derivatives as prostanoid agonists PTGER1, PTGER4, PTGIR PRKCA 727/4885CREBBP 581/4885PDCD1 3684/4885
US-20160280680-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 PRKCA 1067/4885CREBBP 813/4885PDCD1 2417/4885
US-20030120079-A1 Such as 7-((R)-2-((E)-3-(3-Benzyl-phenyl)-3-hydroxy-propenyl)-5-oxo-pyrrolidin-1-yl)-heptanoic acid; side effects reduction PTGER4, FFAR4, PTGER1 PRKCA 2088/4885CREBBP 1652/4885PDCD1 3996/4885

“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.