Sugi Predict

Sugi Predict / Compounds / SCHEMBL10087789

SCHEMBL10087789

SCHEMBL10087789

CCCCCCCCCCCCCCN(CC)C(=O)OC(C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.42
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ LMNA P02545 2/20 0.40
▸ CA2 P00918 1/20 0.38
▸ ABCB1 P08183 1/20 0.36
▸ ZDHHC20 Q5W0Z9 2/20 0.36
▸ ZDHHC2 Q9UIJ5 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CES2 O00748 1/20 0.34
▸ ZDHHC7 Q9NXF8 1/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL10087790 1.00 MGLL (0.42) MGLLCA12CA1CA9LMNA
SCHEMBL14870606 0.93 LMNA (0.42) MGLLCA12CA1CA9LMNA
SCHEMBL14870608 0.93 LMNA (0.42) MGLLCA12CA1CA9LMNA
SCHEMBL6895826 0.93 LMNA (0.42) MGLLCA12CA1CA9LMNA
SCHEMBL10087791 0.90 MGLL (0.42) MGLLCA12CA1CA9LMNA
SCHEMBL15483673 0.90 MGLL (0.42) MGLLCA12CA1CA9LMNA
SCHEMBL10087792 0.90 MGLL (0.42) MGLLCA12CA1CA9LMNA
SCHEMBL6895817 0.86 CA1 (0.44) CA12CA1CA9LMNACA2
SCHEMBL6896156 0.83 LMNA (0.42) MGLLCA12CA1CA9LMNA
SCHEMBL14870614 0.83 LMNA (0.42) MGLLCA12CA1CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 — — US disclosed
US-10011569-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-03 — — US disclosed
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-09-21 — — US disclosed
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 — — US disclosed
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 — — US disclosed
US-20170015659-A1 Prodrugs of NH-Acidic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-01-19 — — US disclosed
US-20160009713-A1 Prodrugs of Heteraromatic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-14 — — US disclosed
US-20150274670-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders MORGAN STANLEY SENIOR FUNDING, INC. 2015-10-01 — — US disclosed
US-9126936-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-09-08 — — US disclosed
US-9107911-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-18 — — US disclosed
US-20140051852-A1 Process for Synthesizing Oxidized Lactam Compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2014-02-20 — — US disclosed
US-8431576-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2013-04-30 — — US disclosed
US-20120015866-A1 Prodrugs of Heteraromatic Compounds ALKERMES, INC. (US) 2012-01-19 — — US disclosed
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 — — US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 — — 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 (10 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-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L MGLL 3642/4885CA12 1815/4885CA1 2042/4885
US-10011569-B2 Process for synthesizing oxidized lactam compounds COASY, DHPS, OXA1L MGLL 3642/4885CA12 1815/4885CA1 2042/4885
US-20140051852-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L MGLL 3642/4885CA12 1815/4885CA1 2042/4885
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 MGLL 4351/4885CA12 1209/4885CA1 762/4885
US-20170015659-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 MGLL 3131/4885CA12 271/4885CA1 377/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 MGLL 3131/4885CA12 271/4885CA1 377/4885
US-20120015866-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 MGLL 3099/4885CA12 1916/4885CA1 1581/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 MGLL 3131/4885CA12 271/4885CA1 377/4885
US-20150274670-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE MGLL 4373/4885CA12 3134/4885CA1 2576/4885
US-20160009713-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 MGLL 3099/4885CA12 1916/4885CA1 1581/4885

“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.