SCHEMBL20939746

SCHEMBL20939746

CN(C)C(=O)C1COc2ccc(Cl)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.47
ROCK1 Q13464 1/20 0.46
MAOB P27338 2/20 0.45
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
LMNA P02545 3/20 0.40
TP53 P04637 3/20 0.40
RIPK1 Q13546 1/20 0.39
HCRTR2 O43614 1/20 0.38

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
SCHEMBL31121487 0.87 ROCK2 (0.48) ROCK2ROCK1MAOBMAPTPOLB
SCHEMBL537418 0.82 ROCK2 (0.51) ROCK2ROCK1MAOBMAPTPOLB
SCHEMBL11527971 0.81 ROCK2 (0.53) ROCK2ROCK1MAOBMAPTPOLB
SCHEMBL20939376 0.77 MAP3K14 (0.40) ROCK2ROCK1MAOBPOLBAKR1C4
SCHEMBL20939596 0.76 MAP3K14 (0.39) ROCK2ROCK1MAOB
SCHEMBL20939658 0.75 HTR7 (0.58) MAPTPOLB
SCHEMBL26966465 0.72 HRH4 (0.42) ROCK2MAOBMAPTPOLBLMNA
SCHEMBL11526977 0.72 ROCK2 (0.53) ROCK2ROCK1MAOBMAPTPOLB
SCHEMBL11803676 0.71 HRH4 (0.37)
SCHEMBL1519154 0.71 ROCK2 (0.55) ROCK2MAOBPOLBAKR1C4AKR1C3

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 ROCK2 1038/4885ROCK1 985/4885MAOB 3216/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB ROCK2 2395/4885ROCK1 2193/4885MAOB 2998/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 ROCK2 1038/4885ROCK1 985/4885MAOB 3216/4885

“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.