SCHEMBL18637142

SCHEMBL18637142

CC(C)CC(=O)N1CCNC[C@H]1C(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
DPP4 P27487 8/20 0.40
DPP7 Q9UHL4 4/20 0.40
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PREP P48147 1/20 0.32
F2 P00734 1/20 0.31
F9 P00740 1/20 0.31
F10 P00742 1/20 0.31
F12 P00748 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
F7 P08709 1/20 0.31
PRSS3 P35030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL18637144 0.86 SMN1; SMN2 (0.45) SMN1; SMN2DPP4DPP7POLBNPSR1
SCHEMBL26523380 0.85 SMN1; SMN2 (0.44) SMN1; SMN2DPP4DPP7POLBNPSR1
SCHEMBL17087644 0.84 SMN1; SMN2 (0.42) SMN1; SMN2DPP4DPP7POLBNPSR1
SCHEMBL23658147 0.84 DPP4 (0.34) DPP4DPP7F2F9F10
SCHEMBL19302838 0.76 SMN1; SMN2 (0.47) SMN1; SMN2PREPF2RAB9A
SCHEMBL17087646 0.75 CNR1 (0.32) L3MBTL1CHRM5CHRM3
SCHEMBL17789313 0.74 CHRM5 (0.32) CHRM5CHRM3
SCHEMBL14558067 0.72 CHRM5 (0.31) CHRM5CHRM3
SCHEMBL14574265 0.72 CHRM5 (0.31) CHRM5CHRM3
SCHEMBL21335271 0.72 NRP1 (0.38) SMN1; SMN2DPP4DPP7F2F9

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-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2017-03-16 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-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 SMN1; SMN2 4565/4885DPP4 942/4885DPP7 1039/4885

“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.