SCHEMBL20939628

SCHEMBL20939628

CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)C(F)(F)F)c2Br)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
NR1H2 P55055 1/20 0.48
ABHD6 Q9BV23 4/20 0.43
MKNK1 Q9BUB5 4/20 0.42
ADORA1 P30542 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NAMPT P43490 1/20 0.40
SCN9A Q15858 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
HDAC1 Q13547 1/20 0.40
UCHL1 P09936 1/20 0.39
ACACB O00763 1/20 0.39

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
SCHEMBL19948765 0.82 ESR2 (0.55) ESR2NR1H2ABHD6MKNK1ADORA1
SCHEMBL29446113 0.82 ESR2 (0.55) ESR2NR1H2ABHD6MKNK1ADORA1
SCHEMBL30260187 0.80 ESR2 (0.60) ESR2NR1H2ABHD6MKNK1ADORA1
SCHEMBL17583921 0.80 ESR2 (0.60) ESR2NR1H2ABHD6MKNK1ADORA1
SCHEMBL31447559 0.79 NR1H2 (0.60) ESR2NR1H2ABHD6MKNK1ADORA1
SCHEMBL17018770 0.79 NR1H2 (0.60) ESR2NR1H2ABHD6MKNK1ADORA1
SCHEMBL20704305 0.78 ESR2 (0.63) ESR2NR1H2ABHD6NPC1RAB9A
SCHEMBL19358055 0.77 HDAC1 (0.46) ESR2NR1H2ABHD6MAPK1NPC1
SCHEMBL19642882 0.77 ESR2 (0.55) ESR2NR1H2ABHD6MKNK1ADORA1
SCHEMBL29405503 0.77 ESR2 (0.55) ESR2NR1H2ABHD6MKNK1ADORA1

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-11186589-B2 Cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-30 US disclosed
US-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 US disclosed
EP-3478673-B1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-16 EP disclosed
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-04-25 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-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS MAP3K14, NFKBIA, MAP3K15 ESR2 3706/4885NR1H2 681/4885ABHD6 2289/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB ESR2 3961/4885NR1H2 1193/4885ABHD6 3078/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 ESR2 3706/4885NR1H2 681/4885ABHD6 2289/4885

“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.