SCHEMBL4382912

SCHEMBL4382912

CC(C)C[C@H](N)CC(=O)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.51
DPP7 Q9UHL4 1/20 0.51
MC4R P32245 4/20 0.47
LMNA P02545 6/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
EPHX1 P07099 1/20 0.42
GAA P10253 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
HTT P42858 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4382915 1.00 DPP4 (0.51) DPP4DPP7MC4RLMNAMAPT
Oxalic Acid SCHEMBL4394044 0.97 DPP4 (0.49) DPP4DPP7MC4RLMNAMAPT
Oxalic Acid SCHEMBL4394048 0.97 DPP4 (0.49) DPP4DPP7MC4RLMNAMAPT
Hydrochloric Acid SCHEMBL4379539 0.86 LMNA (0.47) MC4RLMNAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL4379532 0.86 LMNA (0.47) MC4RLMNAMAPTMEN1KMT2A
SCHEMBL8225043 0.85 DPP4 (0.43) DPP4DPP7MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL4386050 0.85 DPP4 (0.42) DPP4MEN1KMT2APOLBGAA
Hydrochloric Acid SCHEMBL4386043 0.85 DPP4 (0.42) DPP4MEN1KMT2APOLBGAA
SCHEMBL4385223 0.83 LMNA (0.42) DPP4DPP7MC4RLMNAMAPT
SCHEMBL13588912 0.82 LMNA (0.46) MC4RLMNAMAPTMEN1KMT2A

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-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
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 3132/4885DPP7 4492/4885MC4R 1460/4885

“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.