SCHEMBL2830810

SCHEMBL2830810

CC(C)(C)OC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.47
PHGDH O43175 1/20 0.46
HTT P42858 3/20 0.45
ALDH1A1 P00352 2/20 0.44
GPR119 Q8TDV5 2/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 2/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC4 P56524 1/20 0.40
SPR P35270 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 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
SCHEMBL21303031 0.82 HRH3 (0.53) ATMHTTALDH1A1GPR119MAPT
SCHEMBL15876877 0.82 ALDH1A1 (0.44) ATMHTTALDH1A1GPR119MAPT
SCHEMBL18702081 0.82 ATM (0.50) ATMPHGDHHTTALDH1A1MAPT
SCHEMBL30329292 0.82 CYP11B2 (0.44) ATMHTTSPR
SCHEMBL18711350 0.82 ATM (0.52) ATMPHGDHHTTALDH1A1MAPT
SCHEMBL7481716 0.81 ALDH1A1 (0.47) ATMHTTALDH1A1GPR119MAPT
SCHEMBL28772014 0.79 ATM (0.47) ATMPHGDHHTTALDH1A1MEN1
SCHEMBL30328604 0.79 USP30 (0.45) GPR119MAPTUSP2SMN1; SMN2
SCHEMBL3788500 0.78 EGLN2 (0.43) ATMHTTALDH1A1GPR119MAPT
SCHEMBL2824232 0.77 CKS1B (0.48) ALDH1A1GPR119MAPTLMNAMEN1

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 ATM 1953/4885PHGDH 1596/4885HTT 520/4885

“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.