SCHEMBL4039629

SCHEMBL4039629

CC(C)(C)OC(=O)N1CCn2c(C3CCOCC3)cc(C(N)=O)c2C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR119 Q8TDV5 4/20 0.40
RECQL P46063 1/20 0.40
NR1H2 P55055 2/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
CSNK1E P49674 2/20 0.36
JAK2 O60674 1/20 0.36
PARP1 P09874 1/20 0.36
ESR2 Q92731 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL31481 0.92 NR1H2 (0.42) GPR119NR1H2KDM4EMAPTTHRB
SCHEMBL4036723 0.83 CSNK1E (0.39) CSNK1EPARP1
SCHEMBL4039726 0.82 USP2 (0.40) USP2SMN1; SMN2GPR119RECQLNR1H2
SCHEMBL4041973 0.79 NR1H2 (0.45) USP2SMN1; SMN2GPR119NR1H2MAPT
SCHEMBL31482 0.78 NR1H2 (0.44) GPR119NR1H2MAPTCSNK1EJAK2
SCHEMBL4043129 0.76 CSNK1E (0.45) USP2SMN1; SMN2RECQLCSNK1E
SCHEMBL30047 0.75 CSNK1E (0.36) CSNK1E
SCHEMBL4043744 0.74 CSNK1E (0.45) CSNK1E
SCHEMBL4042906 0.74 GPR119 (0.43) GPR119NR1H2KDM4EMAPTTHRB
SCHEMBL4038413 0.73 NR1H2 (0.43) GPR119NR1H2CSNK1EPARP1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 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 (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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 USP2 2524/4885SMN1; SMN2 3785/4885GPR119 770/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS USP2 3538/4885SMN1; SMN2 4434/4885GPR119 631/4885

“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.