SCHEMBL3870832

SCHEMBL3870832

CC(C)(C)OC(=O)N1Cc2cc(F)c(N3CCOCC3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
USP2 O75604 1/20 0.51
PIK3CA P42336 1/20 0.49
MTOR P42345 1/20 0.49
ALDH1A1 P00352 2/20 0.49
ABHD6 Q9BV23 1/20 0.46
CPT2 P23786 1/20 0.46
CPT1A P50416 1/20 0.46
NR1H2 P55055 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 3/20 0.44
ESR2 Q92731 1/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
NPC1 O15118 1/20 0.42
HDAC1 Q13547 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL3872415 0.86 USP2 (0.52) USP30SMN1; SMN2USP2PIK3CAMTOR
SCHEMBL3874016 0.85 SMN1; SMN2 (0.49) USP30SMN1; SMN2USP2PIK3CAMTOR
SCHEMBL3874047 0.85 SMN1; SMN2 (0.51) USP30SMN1; SMN2USP2PIK3CAMTOR
SCHEMBL3880562 0.82 USP2 (0.48) USP30SMN1; SMN2USP2PIK3CAMTOR
SCHEMBL2809581 0.80 ABHD6 (0.67) USP30SMN1; SMN2USP2PIK3CAMTOR
SCHEMBL23727707 0.78 NR1H2 (0.47) SMN1; SMN2USP2PIK3CAMTORABHD6
SCHEMBL29835115 0.78 NR1H2 (0.47) SMN1; SMN2USP2PIK3CAMTORABHD6
SCHEMBL8256409 0.77 MAPT (0.54) USP30SMN1; SMN2USP2PIK3CAALDH1A1
SCHEMBL24816784 0.77 ESR2 (0.50) USP30SMN1; SMN2USP2ABHD6NR1H2
SCHEMBL2111879 0.77 MTOR (0.45) USP30SMN1; SMN2USP2PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 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 (2 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 USP30 4729/4885SMN1; SMN2 963/4885USP2 4662/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 USP30 4729/4885SMN1; SMN2 963/4885USP2 4662/4885

“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.