SCHEMBL4370229

SCHEMBL4370229

CCOC(=O)C(C#N)C(=O)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 5/20 0.39
TSHR P16473 1/20 0.39
SOAT1 P35610 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CYP2C9 P11712 1/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPA1 O75762 1/20 0.32

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
SCHEMBL9705616 0.87 MEN1 (0.45) MEN1KMT2AALDH1A1TSHRSOAT1
Ethane SCHEMBL20528153 0.85 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRSOAT1
SCHEMBL11510127 0.84 MEN1 (0.38) MEN1KMT2AALDH1A1TSHRSOAT1
SCHEMBL27596382 0.83 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL31074909 0.81 MEN1 (0.41) MEN1KMT2AALDH1A1TSHRSOAT1
SCHEMBL3975055 0.81 ALDH1A1 (0.42) MEN1KMT2AALDH1A1TSHRSOAT1
SCHEMBL27596386 0.78 LMNA (0.35) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL13219420 0.76 ALDH1A1 (0.38) MEN1KMT2AALDH1A1TSHRSOAT1
SCHEMBL27479161 0.76 FFAR3 (0.35) MEN1KMT2A
SCHEMBL4926082 0.75 MEN1 (0.41) MEN1KMT2AALDH1A1TSHRSOAT1

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
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1313710-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Pfizer Products Inc. (US) 2003-05-28 EP disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
US-20020103185-A1 Pyrazole derivatives PFIZER PRODUCTS INC. 2002-08-01 US disclosed
WO-2002018346-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-03-07 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-20020103185-A1 Pyrazole derivatives CDK1, CDK5, CDK3 MEN1 4041/4885KMT2A 3102/4885ALDH1A1 1240/4885
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 MEN1 4422/4885KMT2A 3347/4885ALDH1A1 1061/4885
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 MEN1 4720/4885KMT2A 3400/4885ALDH1A1 2211/4885

“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.