SCHEMBL2825151

SCHEMBL2825151

CC(C)(C)OC(=O)N1CCN(c2ncc(S(=O)(=O)c3cccnc3)s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.48
KIT P10721 1/20 0.46
PIK3CA P42336 1/20 0.46
GBA1 P04062 1/20 0.46
POLB P06746 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
DTYMK P23919 1/20 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
SCHEMBL2826702 0.90 PIK3CA (0.55) GPR119KITPIK3CAGBA1CKS1B
SCHEMBL2823262 0.89 GPR119 (0.53) GPR119PIK3CACKS1BSKP1SKP2
SCHEMBL27698752 0.84 NAMPT (0.40) GPR119
SCHEMBL2831907 0.83 GPR119 (0.47) GPR119PIK3CAGBA1POLBCKS1B
SCHEMBL2825192 0.81 GPR119 (0.50) GPR119CKS1BSKP1SKP2
SCHEMBL2828776 0.79 GPR119 (0.46) GPR119PIK3CACKS1BSKP1SKP2
SCHEMBL2827274 0.78 GPR119 (0.46) GPR119PIK3CACKS1BSKP1SKP2
Tert-Butyl Formate SCHEMBL27698755 0.78 HDAC3 (0.39)
SCHEMBL2825466 0.77 GPR119 (0.48) GPR119KITGBA1POLBCKS1B
SCHEMBL2827276 0.76 GPR119 (0.44) GPR119PIK3CACKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838308-B1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
EP-1838308-A1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. Hoffmann-Roche AG (CH) 2007-10-03 EP disclosed
US-7220744-B2 Monocyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2007-05-22 US disclosed
US-20060167009-A1 Monocyclic substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 US disclosed
WO-2006072436-A1 [4-(HETEROARYL) PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-13 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 (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-20060167009-A1 Monocyclic substituted phenyl methanones SLC1A2, SULT2A1, SLC6A5 GPR119 363/4885KIT 4872/4885PIK3CA 4545/4885

“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.