SCHEMBL22358112

SCHEMBL22358112

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3cnn(C4COC4)c3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 3/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.49
▸ GPR119 Q8TDV5 2/20 0.48
▸ RIPK2 O43353 1/20 0.47
▸ USP30 Q70CQ3 4/20 0.46
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ MTOR P42345 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ ATR Q13535 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL22358418 0.87 KDM4E (0.57) GPR119LMNAMEN1KMT2A
SCHEMBL20116317 0.86 USP30 (0.44) HDAC4HDAC6GPR119USP30
SCHEMBL22358408 0.84 KHK (0.44) HDAC4RIPK2
SCHEMBL23734209 0.82 KHK (0.66) HDAC4POLBLMNATHRBMAPT
SCHEMBL20676379 0.81 GPR119 (0.44) HDAC4GPR119PIK3CAMTORPIK3CG
SCHEMBL20676531 0.80 GPR119 (0.51) HDAC4GPR119PIK3CAMTORPIK3CG
SCHEMBL20676369 0.80 GPR119 (0.56) GPR119PIK3CAMTORPIK3CGATR
SCHEMBL22358260 0.79 GPR119 (0.49) HDAC4HDAC6GPR119LMNAPIK3CA
SCHEMBL20676592 0.78 GPR119 (0.50) GPR119PIK3CAMTORPIK3CGATR
SCHEMBL20116157 0.78 GPR119 (0.52) GPR119PIK3CAMTORPIK3CGATR

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-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

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 HDAC4 496/4885HDAC6 50/4885GPR119 2922/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 HDAC4 496/4885HDAC6 50/4885GPR119 2922/4885

“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.

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