SCHEMBL1776217

SCHEMBL1776217

CC(C)(C)OC(=O)N1[C@@H](C(C)(C)F)COC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.47
BRD4 O60885 1/20 0.39
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCRTR2 O43614 1/20 0.33
RECQL P46063 1/20 0.32
HSD11B2 P80365 1/20 0.32
NR1H2 P55055 2/20 0.31
EPHX2 P34913 1/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 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
SCHEMBL27303527 0.88 SPHK1 (0.49) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL3448655 0.86 SPHK1 (0.48) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL19481651 0.86 SPHK1 (0.48) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL14496992 0.86 SPHK1 (0.48) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL24554698 0.84 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL3450154 0.84 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL23341555 0.82 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL15319039 0.81 SPHK1 (0.50) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL15319038 0.81 SPHK1 (0.50) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL25717556 0.81 SPHK1 (0.45) SPHK1BRD4CHRM2CHRM1CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207725-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2011-08-25 US disclosed
US-7943609-B2 Such as (tetrahydr)imidazo(4,5-c ) quinoline or naphthymidine; immunomoderators; induce cytokine biosynthesis in animals; anticancer agents; viricides 3M INNOVATIVE PROPRERTIES COMPANY (US) 2011-05-17 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-20110207725-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNAR1, IFNG, IL4 SPHK1 3395/4885BRD4 265/4885CHRM2 818/4885

“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.