SCHEMBL18152064

SCHEMBL18152064

CC1(C)OB(c2ccn(C3CCOCC3)c(=O)c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.33
BACE1 P56817 4/20 0.32
LPL P06858 6/20 0.32
LIPG Q9Y5X9 6/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
ROCK1 Q13464 1/20 0.32
DHODH Q02127 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
KRAS P01116 2/20 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
SCHEMBL22551912 0.92 DHODH (0.36) BACE1LPLLIPGROCK1DHODH
SCHEMBL14730026 0.80 LPL (0.36) HCAR1BACE1LPLLIPGCA1
SCHEMBL7861274 0.80 DGAT1 (0.38) LPLLIPG
SCHEMBL7907138 0.74 IRAK4 (0.31) LPLLIPG
SCHEMBL27389519 0.74 CHRM2 (0.41) HCAR1KRASSOS1
SCHEMBL505907 0.73 MAP4K1 (0.35) LPLLIPGCA1CA2CA9
SCHEMBL2573893 0.72 LPL (0.40) LPLLIPGIDO1TDO2ROCK1
SCHEMBL23797296 0.72 IDO1 (0.37) BACE1LPLLIPGIDO1TDO2
SCHEMBL3664117 0.72 CNR2 (0.36)
SCHEMBL15796529 0.72 IKZF2 (0.37) BACE1IDO1TDO2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 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 (3 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 HCAR1 92/4885BACE1 1383/4885LPL 4619/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 HCAR1 92/4885BACE1 1383/4885LPL 4619/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 HCAR1 92/4885BACE1 1383/4885LPL 4619/4885

“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.