SCHEMBL2823613

SCHEMBL2823613

Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
MAPT P10636 4/20 0.41
GPR119 Q8TDV5 5/20 0.41
HDAC4 P56524 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ACHE P22303 1/20 0.40
MAP4K4 O95819 1/20 0.39
GBA1 P04062 1/20 0.39
PTPN11 Q06124 1/20 0.39
USP2 O75604 1/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL4850285 0.84 DPP4 (0.47) CKS1BSKP1SKP2MAPTGPR119
SCHEMBL27719009 0.80 MAPT (0.39) MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL4808063 0.80 ALDH1A1 (0.57) CKS1BSKP1SKP2MAPTGPR119
SCHEMBL2824232 0.78 CKS1B (0.48) CKS1BSKP1SKP2MAPTGPR119
SCHEMBL2830810 0.77 ATM (0.47) CKS1BSKP1SKP2MAPTGPR119
SCHEMBL19056939 0.76 CKS1B (0.44) CKS1BSKP1SKP2MAPTGPR119
SCHEMBL12193543 0.75 HRH3 (0.55) CKS1BSKP1SKP2MAPTGPR119
SCHEMBL4573137 0.75 CTSB (0.46) CKS1BSKP1SKP2MAPTGPR119
SCHEMBL21303031 0.75 HRH3 (0.53) CKS1BSKP1SKP2MAPTGPR119
SCHEMBL4850288 0.74 PPARG (0.46) CKS1BSKP1SKP2MAPTGPR119

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 CKS1B 3454/4885SKP1 1330/4885SKP2 2913/4885

“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.