SCHEMBL6370632

SCHEMBL6370632

CC(=O)CC(C)c1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.42
STAT3 P40763 1/20 0.42
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GSK3B P49841 2/20 0.41
EEF2K O00418 1/20 0.40
IDO1 P14902 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40

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
SCHEMBL21274644 0.86 FFAR1 (0.68) FFAR1MAPTKDM4EGAAL3MBTL1
SCHEMBL22338812 0.86 FFAR1 (0.68) FFAR1MAPTKDM4EGAAL3MBTL1
SCHEMBL28509175 0.82 MAPT (0.48) MAPTKDM4EGAAL3MBTL1HTT
SCHEMBL28509173 0.82 MAPT (0.48) MAPTKDM4EGAAL3MBTL1HTT
SCHEMBL21274649 0.79 HTT (0.49) FFAR1MAPTKDM4EGAAL3MBTL1
SCHEMBL10241629 0.77 ESR1 (0.53) FFAR1MAPTALDH1A1STAT3ACHE
SCHEMBL14646402 0.77 GRIA1 (0.47) FFAR1MAPTKDM4EGAAL3MBTL1
SCHEMBL14731823 0.77 ACHE (0.67) FFAR1GRIA4ALDH1A1STAT3ACHE
SCHEMBL31477148 0.77 GRIA1 (0.47) FFAR1MAPTKDM4EGAAL3MBTL1
SCHEMBL27864068 0.76 KDM4E (0.49) FFAR1MAPTKDM4EGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 US disclosed
US-6617347-B1 Substituted pyrazoles are treatment of Type II diabetes and obesity. ELI LILLY AND COMPANY 2003-09-09 US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 US disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
US-6046227-A USEFUL IN THE TREATMENT OF TYPE II DIABETES AND OBESITY; A SUBSTITUTED PYRAZINE COMPOUND ELI LILLY AND COMPANY (US) 2000-04-04 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 (1 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-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 FFAR1 94/4885MAPT 3335/4885KDM4E 3200/4885

“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.