SCHEMBL20116426

SCHEMBL20116426

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)NCc1ccc2[nH]ncc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.49
MAPK1 P28482 2/20 0.48
SSTR4 P31391 1/20 0.44
DOT1L Q8TEK3 2/20 0.43
PIK3CD O00329 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
MAOB P27338 1/20 0.42
TACR1 P25103 1/20 0.41
NAMPT P43490 3/20 0.41
PRKACA P17612 2/20 0.41
RPS6KB1 P23443 2/20 0.41
PRKX P51817 2/20 0.41
PRKG2 Q13237 2/20 0.41
ROCK1 Q13464 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
SGK2 Q9HBY8 2/20 0.41
AURKA O14965 1/20 0.41
DYRK3 O43781 1/20 0.41
PRKD3 O94806 1/20 0.41

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
SCHEMBL5417289 0.86 ROCK2 (0.51) ROCK2MAPK1PIK3CDIDO1TDO2
SCHEMBL29455217 0.83 SSTR4 (0.44) SSTR4TACR1NAMPTKCNH2SCN5A
SCHEMBL10165007 0.78 MAPK1 (0.62) ROCK2MAPK1DOT1LMAOBPRKACA
SCHEMBL20676685 0.78 SMN1; SMN2 (0.55) SSTR4TACR1NAMPTKCNH2SCN5A
SCHEMBL20116251 0.78 SMN1; SMN2 (0.48) MAPK1SSTR4TACR1NAMPTKCNH2
SCHEMBL20116390 0.77 TACR1 (0.54) SSTR4TACR1NAMPTKCNH2SCN5A
SCHEMBL25155871 0.76 GPR119 (0.52) SSTR4TACR1NAMPTKCNH2SCN5A
SCHEMBL30344314 0.76 GPR119 (0.52) SSTR4TACR1NAMPTKCNH2SCN5A
SCHEMBL31359953 0.76 GPR119 (0.52) SSTR4TACR1NAMPTKCNH2SCN5A
SCHEMBL3328409 0.75 PIK3CD (0.49) ROCK2PIK3CDIDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO 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 (2 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 ROCK2 1469/4885MAPK1 4304/4885SSTR4 3804/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ROCK2 1469/4885MAPK1 4304/4885SSTR4 3804/4885

“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.