SCHEMBL14092249

SCHEMBL14092249

CC(CCc1ccc(F)cc1OCCO)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
LTB4R Q15722 2/20 0.38
LTB4R2 Q9NPC1 2/20 0.38
SCN9A Q15858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL14047158 1.00 AAK1 (0.39) AAK1ALDH1A1HTTCTSSCTSK
SCHEMBL12634964 0.92 AAK1 (0.41) AAK1CTSSCTSKLTB4RMEN1
SCHEMBL12634967 0.92 AAK1 (0.41) AAK1CTSSCTSKLTB4RMEN1
SCHEMBL12635039 0.88 SMN1; SMN2 (0.38) AAK1ALDH1A1HTTMEN1KMT2A
SCHEMBL12635061 0.88 SMN1; SMN2 (0.38) AAK1ALDH1A1HTTMEN1KMT2A
SCHEMBL12634681 0.88 AAK1 (0.40) AAK1CTSSCTSKLTB4RLTB4R2
SCHEMBL15291926 0.87 CTSK (0.42) HTTCTSSCTSKLTB4RLTB4R2
SCHEMBL12635392 0.86 AAK1 (0.39) AAK1CTSSCTSKLTB4RLTB4R2
SCHEMBL12635110 0.85 CTSS (0.39) AAK1ALDH1A1HTTCTSSCTSK
SCHEMBL12635114 0.85 CTSS (0.39) AAK1ALDH1A1HTTCTSSCTSK

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-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA INC. 2008-08-14 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-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR AAK1 2124/4885ALDH1A1 4297/4885HTT 361/4885

“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.