SCHEMBL4514895

SCHEMBL4514895

CS(=O)(=O)c1ccc(N2CCNCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.50
OGA O60502 1/20 0.50
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 2/20 0.48
MLNR O43193 3/20 0.46
CYP2D6 P10635 2/20 0.46
PLD1 Q13393 1/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL4432680 0.88 HRH4 (0.47) GPR119OGAHSD17B10ALDH1A1GAA
SCHEMBL14138626 0.86 GPR119 (0.62) GPR119OGAHSD17B10ALDH1A1MLNR
SCHEMBL16431015 0.81 ALDH1A1 (0.52) GPR119OGAHSD17B10ALDH1A1CYP2D6
SCHEMBL13212276 0.81 HSD17B10 (0.72) GPR119OGAHSD17B10ALDH1A1MLNR
SCHEMBL16430343 0.81 KCNJ1 (0.49) GPR119OGAHSD17B10ALDH1A1CYP2D6
SCHEMBL16438706 0.81 HDAC1 (0.49) GPR119OGAHSD17B10ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL16430655 0.80 HDAC1 (0.48) GPR119OGAHSD17B10ALDH1A1CYP2D6
SCHEMBL7489968 0.80 CHRNA7 (0.54) HSD17B10ALDH1A1MLNRCYP2D6PLD1
SCHEMBL16431467 0.79 ALDH1A1 (0.57) GPR119HSD17B10ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL649950 0.79 OGA (0.48) GPR119OGAHSD17B10ALDH1A1GAA

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
CN-1867554-B Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE 2011-07-06 CN disclosed
US-20090203676-A1 G-protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2009-08-13 US disclosed
EP-1909791-A1 G-PROTEIN COUPLED RECEPTOR AGONISTS Prosidion Limited (GB) 2008-04-16 EP disclosed
WO-2007003964-A1 G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 WO disclosed
CN-1867554-A Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE (CH) 2006-11-22 CN 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-20090203676-A1 G-protein Coupled Receptor Agonists GPR119, GCGR, GPBAR1 GPR119 1/4885OGA 1305/4885HSD17B10 920/4885

“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.