SCHEMBL13326499

SCHEMBL13326499

CC(C)(C)OC(=O)N1CCC(CNc2cnccn2)C1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
IDO1 P14902 2/20 0.53
TDO2 P48775 1/20 0.53
GPR119 Q8TDV5 5/20 0.53
CCNT1 O60563 1/20 0.53
CDK9 P50750 1/20 0.53
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
PTK2 Q05397 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
FAAH O00519 1/20 0.44
IRAK1 P51617 1/20 0.43
ACKR3 P25106 1/20 0.43
BCDIN3D Q7Z5W3 1/20 0.42

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
SCHEMBL14720480 0.83 GRIN2B (0.61) GRIN2BCYP2C9CYP3A4CYP2D6JAK3
SCHEMBL13326838 0.81 GPR119 (0.56) GPR119
SCHEMBL13326536 0.81 GPR119 (0.56) GPR119
SCHEMBL13326847 0.81 GPR119 (0.56) GPR119
SCHEMBL18280967 0.81 GRIN2B (0.69) GRIN2BCYP2C9CYP3A4CYP2D6GPR119
SCHEMBL18280970 0.81 GRIN2B (0.69) GRIN2BCYP2C9CYP3A4CYP2D6GPR119
SCHEMBL20189375 0.81 GRIN2B (0.69) GRIN2BCYP2C9CYP3A4CYP2D6GPR119
SCHEMBL13834763 0.80 IDO1 (0.55) CYP2C9IDO1TDO2GPR119CCNT1
SCHEMBL7654567 0.78 GPR119 (0.61) GPR119
SCHEMBL27023071 0.78 GPR119 (0.61) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 US disclosed
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 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 (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-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS CBR3, CBR1, TECR GRIN2B 2482/4885CYP2C9 2098/4885CYP3A4 1593/4885

“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.