SCHEMBL19200830

SCHEMBL19200830

CC(C)(C)OC(=O)NC12CCCC(NC(=O)OCc3cccc(CCO)c3)(CC1)C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
CACNA1B Q00975 1/20 0.37
SYK P43405 1/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 3/20 0.36
CTSL P07711 2/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
FPR2 P25090 3/20 0.34
GRM5 P41594 3/20 0.34
RORC P51449 2/20 0.34
PPIA P62937 1/20 0.33
NQO2 P16083 1/20 0.32

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
SCHEMBL10152374 0.86 SYK (0.48) SYKDPP8DPP9CTSLCTSB
SCHEMBL27231928 0.78 SYK (0.53) SYKDPP8DPP9CTSLCTSB
SCHEMBL31454371 0.78 SYK (0.53) SYKCTSLCTSBCTSS
SCHEMBL17141146 0.76 CTSL (0.51) CTSLCTSBCTSS
SCHEMBL6130358 0.73 SYK (0.48) CYP3A4CYP2C19SYKDPP8DPP9
SCHEMBL11026824 0.70 GRM5 (0.67) DPP8DPP9FPR2GRM5
SCHEMBL10151954 0.70 GRM5 (0.67) DPP8DPP9FPR2GRM5
SCHEMBL9951674 0.70 CTSB (0.48) CYP3A4CYP2C19CTSLCTSBCTSS
SCHEMBL1305754 0.69 SYK (0.46) SYKCTSLCTSBCTSS
SCHEMBL19189058 0.69 SYK (0.47) SYKCTSLCTSBCTSS

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 CYP3A4 182/4885CYP2C19 63/4885CYP4F2 887/4885

“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.