SCHEMBL2182114

SCHEMBL2182114

CCN(CC)C(=O)OCI

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 7/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
HSD17B10 Q99714 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
MAOA P21397 2/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL8786491 0.87 MEN1 (0.39) MEN1KMT2ALMNAMMP1MMP2
SCHEMBL306280 0.81 CA12 (0.43) TSHRALDH1A1CA12CA1CA9
SCHEMBL20968172 0.81 MEN1 (0.42) MEN1KMT2ALMNAMMP1MMP2
SCHEMBL758863 0.79 KMT2A (0.48) MEN1KMT2ALMNAMMP1MMP2
SCHEMBL16965411 0.79 MEN1 (0.48) MEN1KMT2ALMNAMMP1MMP2
Ammonia Solution, Strong SCHEMBL9456471 0.77 KMT2A (0.46) MEN1KMT2ALMNAMMP1MMP2
Hydrochloric Acid SCHEMBL27831562 0.77 KMT2A (0.46) MEN1KMT2ALMNAMMP1MMP2
SCHEMBL2182115 0.76 ALDH1A1 (0.40) MEN1KMT2ALMNAMMP1MMP2
SCHEMBL1053302 0.75 MEN1 (0.45) MEN1KMT2ALMNAMMP1MMP2
SCHEMBL515159 0.75 MEN1 (0.45) MEN1KMT2ALMNAMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521711-B1 QUATERNARY AMMONIUM SALT PRODRUGS ALKERMES PHARMA IRELAND LTD (IE) 2017-08-16 EP disclosed
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
EP-2521711-A1 QUATERNARY AMMONIUM SALT PRODRUGS Alkermes, Inc. (US) 2012-11-14 EP disclosed
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 US disclosed
WO-2011084846-A1 QUATERNARY AMMONIUM SALT PRODRUGS ALKERMES, INC. (US) 2011-07-14 WO disclosed
WO-2011084849-A1 DIARYLDIAZEPINE PRODRUGS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. (US) 2011-07-14 WO disclosed
WO-2011084851-A1 ASENAPINE PRODURUGS ALKERMES, INC. (US) 2011-07-14 WO disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 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-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 MEN1 1924/4885KMT2A 872/4885LMNA 2321/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B MEN1 2381/4885KMT2A 1802/4885LMNA 1099/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B MEN1 2211/4885KMT2A 119/4885LMNA 3322/4885

“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.