SCHEMBL3072141

SCHEMBL3072141

CC(C)(C)OC(=O)N1CCN(c2cccc(C(F)(F)F)c2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
TRPA1 O75762 1/20 0.47
TRPV1 Q8NER1 2/20 0.47
POLB P06746 1/20 0.46
AKR1C3 P42330 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
P2RX7 Q99572 7/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
RBP4 P02753 2/20 0.45

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
SCHEMBL20818495 0.87 AKR1C3 (0.60) PDK2GPR119TRPV1AKR1C3RBP4
SCHEMBL31694435 0.87 AKR1C3 (0.60) PDK2GPR119TRPV1AKR1C3RBP4
SCHEMBL21995949 0.86 MAPT (0.52) PDK2GPR119TRPV1AKR1C3MEN1
SCHEMBL25003000 0.85 MAPT (0.51) PDK2GPR119POLBMEN1KMT2A
SCHEMBL246696 0.84 DRD2 (0.56) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL21995750 0.83 ALDH1A1 (0.54) GPR119POLBMEN1KMT2AMAPT
SCHEMBL25003630 0.83 SMARCA2 (0.54) PDK2GPR119POLBMEN1KMT2A
SCHEMBL30885786 0.83 ALDH1A1 (0.54) GPR119POLBMEN1KMT2AMAPT
SCHEMBL5338694 0.83 AKR1C3 (0.44) PDK2GPR119TRPV1POLBAKR1C3
SCHEMBL4780905 0.82 STS (0.48) PDK2GPR119POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170076-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-04-07 EP claimed
WO-2009002495-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-12-31 WO claimed
US-20100227870-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-09-09 US disclosed
US-20100227870-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-09-09 US disclosed
US-20100227870-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-09-09 US disclosed
WO-2008152089-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-12-18 WO disclosed
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 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 (4 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-20100227870-A1 Novel Compounds GRM5, GRIK5, GRM1 PDK2 3031/4885GPR119 56/4885TRPA1 887/4885
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 PDK2 1501/4885GPR119 901/4885TRPA1 4245/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 PDK2 1501/4885GPR119 901/4885TRPA1 4245/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 PDK2 1501/4885GPR119 901/4885TRPA1 4245/4885

“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.