SCHEMBL4382741

SCHEMBL4382741

N#Cc1cc(CON=C2CCN(C(=O)CNc3ccc(F)cc3)CC2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
RORC P51449 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
FPR1 P21462 3/20 0.33
FPR2 P25090 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
KCNK3 O14649 1/20 0.33
GRM1 Q13255 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4385524 0.88 POLB (0.42) DPP4DPP8RORCALDH1A1MAPT
SCHEMBL13589008 0.87 KMT2A (0.42) DPP4DPP8RAB9ANPC1ALDH1A1
SCHEMBL4382790 0.86 PTGDR2 (0.42) DPP4DPP8RORCS1PR1GFER
SCHEMBL4387758 0.84 FKBP1A (0.45) DPP4DPP8ALDH1A1MAPTLMNA
SCHEMBL4381738 0.84 KDM1A (0.39) DPP4DPP8RORCALDH1A1RIPK3
SCHEMBL4385299 0.84 CACNA1C (0.41) DPP4DPP8RORCALDH1A1MAPT
SCHEMBL4387304 0.83 P2RY12 (0.46) NPC1ALDH1A1LMNAPKMSMN1; SMN2
SCHEMBL4376868 0.83 DPP4 (0.36) DPP4DPP8RAB9ARORCRIPK3
SCHEMBL4381786 0.82 DPP4 (0.39) DPP4DPP8RORCALDH1A1RIPK3
SCHEMBL4379075 0.82 CACNA1B (0.45) DPP4DPP8S1PR1

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
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 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 (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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 DPP4 3132/4885DPP8 4694/4885RAB9A 4109/4885

“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.