SCHEMBL4384414

SCHEMBL4384414

N#Cc1cc(CON=C2CCN(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
RORC P51449 2/20 0.34
CACNA1H O95180 1/20 0.34
P2RY12 Q9H244 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
S1PR1 P21453 1/20 0.34
GPR52 Q9Y2T5 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
RET P07949 1/20 0.33
KIT P10721 1/20 0.33
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33
KCNK3 O14649 1/20 0.33
CHRM4 P08173 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL13589012 0.96 P2RY12 (0.35) S1PR3DPP4DPP8RORCCACNA1H
SCHEMBL13589008 0.86 KMT2A (0.42) DPP4DPP8P2RY12FPR1FPR2
SCHEMBL4387304 0.86 P2RY12 (0.46) P2RY12KITPTGDR2
SCHEMBL4385299 0.85 CACNA1C (0.41) DPP4DPP8RORCITGB3ITGA2B
SCHEMBL4379075 0.83 CACNA1B (0.45) DPP4DPP8ITGB3ITGA2BS1PR1
SCHEMBL4385524 0.83 POLB (0.42) DPP4DPP8RORCKCNK3
SCHEMBL4376868 0.82 DPP4 (0.36) DPP4DPP8RORCGPR52RIPK3
SCHEMBL4381786 0.81 DPP4 (0.39) DPP4DPP8RORCS1PR1GPR52
SCHEMBL4382790 0.81 PTGDR2 (0.42) DPP4DPP8RORCS1PR1PTGDR2
SCHEMBL4382741 0.81 DPP4 (0.36) DPP4DPP8RORCS1PR1GPR52

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 1 patent. 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

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 S1PR3 310/4885DPP4 3132/4885DPP8 4694/4885

“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.