SCHEMBL21768425

SCHEMBL21768425

CN(C)C(=O)Cn1nc(C(F)(F)F)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLQ O75417 3/20 0.39
POLB P06746 3/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL21780716 0.84 KDM4E (0.74) KDM4ELMNATP53L3MBTL1POLB
SCHEMBL13169955 0.83 LMNA (0.45) KDM4ELMNATP53L3MBTL1POLB
SCHEMBL3690937 0.81 LMNA (0.43) KDM4ELMNATP53L3MBTL1POLB
SCHEMBL22637048 0.81 KDM4E (0.56) KDM4ELMNATP53L3MBTL1POLQ
SCHEMBL19105618 0.80 KDM4E (0.55) KDM4ELMNATP53L3MBTL1POLQ
SCHEMBL3689393 0.80 LMNA (0.46) KDM4ELMNATP53L3MBTL1POLB
SCHEMBL15875210 0.79 TP53 (0.48) KDM4ELMNATP53L3MBTL1POLB
SCHEMBL22637689 0.77 KDM4E (0.52) KDM4ELMNATP53L3MBTL1POLB
SCHEMBL16486020 0.74 LMNA (0.40) KDM4ELMNATP53L3MBTL1POLB
SCHEMBL21780818 0.73 KDM4E (0.61) KDM4ELMNATP53L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
EP-3722284-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 EP disclosed
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 EP 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 (1 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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 KDM4E 2919/4885LMNA 2991/4885TP53 4238/4885

“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.