SCHEMBL4381786

SCHEMBL4381786

N#Cc1cc(CON=C2CCN(C(=O)Oc3ccc(F)cc3)CC2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
MGLL Q99685 2/20 0.38
ALOX15 P16050 1/20 0.36
SCN9A Q15858 1/20 0.36
RORC P51449 2/20 0.36
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNK3 O14649 1/20 0.34
CHRM4 P08173 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR1 P21453 3/20 0.34
GRM5 P41594 2/20 0.34
GPR52 Q9Y2T5 1/20 0.33
RIPK3 Q9Y572 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
SCHEMBL4387758 0.87 FKBP1A (0.45) DPP4DPP8TSHRSMN1; SMN2ALDH1A1
SCHEMBL4385524 0.86 POLB (0.42) DPP4DPP8RORCSMN1; SMN2KCNK3
SCHEMBL4565833 0.86 P2RY12 (0.36) DPP4DPP8RORCKCNK3CHRM4
SCHEMBL4382790 0.85 PTGDR2 (0.42) DPP4DPP8RORCKMT2AS1PR1
SCHEMBL4387304 0.84 P2RY12 (0.46) TSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL13589008 0.84 KMT2A (0.42) DPP4DPP8SMN1; SMN2ALDH1A1POLB
SCHEMBL4376868 0.83 DPP4 (0.36) DPP4DPP8RORCSMN1; SMN2KCNK3
SCHEMBL4380717 0.82 GPR183 (0.46) ALDH1A1KMT2A
SCHEMBL4382741 0.82 DPP4 (0.36) DPP4DPP8ALOX15RORCUSP2
SCHEMBL4381738 0.82 KDM1A (0.39) DPP4DPP8RORCSMN1; SMN2KCNK3

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 DPP4 3132/4885DPP8 4694/4885MGLL 3394/4885

“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.