SCHEMBL19199716

SCHEMBL19199716

COC(=O)C12CCCC(NC(=O)OCc3ccccc3COC(=O)C34CCCC(C(=O)O)(CC3)C4)(CC1)C2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.38
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CTSB P07858 3/20 0.33
CTSS P25774 3/20 0.33
CTSL P07711 2/20 0.33
RAB9A P51151 1/20 0.33
PTGFR P43088 3/20 0.33
FPR2 P25090 3/20 0.33
GRM5 P41594 3/20 0.33
PPIA P62937 1/20 0.32
CTSK P43235 2/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
CDC25B P30305 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL10151699 0.85 CTSB (0.46) CHRM1MEN1KMT2ACTSBCTSS
SCHEMBL9951765 0.81 CTSS (0.46) CTSBCTSSCTSLRAB9ACTSK
SCHEMBL2823474 0.80 CTSB (0.46) CHRM1MEN1KMT2ACTSBCTSS
SCHEMBL9952383 0.79 CTSB (0.44) CTSBCTSSCTSLRAB9ACTSK
SCHEMBL2826325 0.76 CTSL (0.46) CTSBCTSSCTSLRAB9A
SCHEMBL1305698 0.73 CHRM1 (0.50) CHRM1MEN1KMT2ACTSBCTSS
SCHEMBL9951842 0.73 CTSS (0.44) CTSBCTSSCTSLRAB9ACTSK
SCHEMBL18038887 0.71 CTSL (0.46) MEN1KMT2ACTSBCTSSCTSL
SCHEMBL1567508 0.71 NPSR1 (0.38) CHRM1MEN1KMT2A
SCHEMBL17141146 0.71 CTSL (0.51) CTSBCTSSCTSLRAB9A

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-20170217950-A1 Bicyclo[3.2.1]Octyl Amide Derivatives and Uses of Same H. LUNDBECK A/S (DK) 2017-08-03 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-20170217950-A1 Bicyclo[3.2.1]Octyl Amide Derivatives and Uses of Same SLC10A1, CLIC1, ABCB11 CHRM1 576/4885MEN1 1887/4885KMT2A 2042/4885

“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.