SCHEMBL17347665

SCHEMBL17347665

CCCCOC(=O)CC[C@@H](C(N)=O)N1Cc2c(O)cccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL19532862 0.87 NPC1 (0.34) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL20786103 0.87 NPC1 (0.35) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL29471925 0.86 NPC1 (0.40) MEN1KMT2AGAAALDH1A1NPC1
SCHEMBL2248688 0.86 NPC1 (0.40) MEN1KMT2AGAAALDH1A1NPC1
SCHEMBL29388571 0.86 NPC1 (0.40) MEN1KMT2AGAAALDH1A1NPC1
SCHEMBL19222240 0.86 ALOX15 (0.39) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL21906781 0.85 NPSR1 (0.33) NPC1RAB9A
SCHEMBL19603297 0.84 ALDH1A1 (0.40) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2250757 0.84 ALDH1A1 (0.40) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL29790770 0.84 ALDH1A1 (0.40) MEN1KMT2AALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975872-B2 Processes for the preparation of (s)-3-(4-((4-(morpholinomethyl)benzyl)oxy)-1-oxoisoindolin-2-yl)piperidine-2,6-dione and pharmaceutically acceptable forms thereof CELGENE CORPORATION (US) 2018-05-22 — — US disclosed
US-20170267658-A1 PROCESSES FOR THE PREPARATION OF ISOTOPOLOGUES OF 3-(4-((4-(MORPHOLINOMETHYL)BENZYL)OXY)-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CELGENE CORPORATION 2017-09-21 — — US disclosed
US-9695145-B2 Processes for the preparation of isotopologues of 3-(4-((4- morpholinomethyl)benzyl)oxy)-1-oxoisoindolin-2-yl)piperidine-2,6-dione and pharmaceutically acceptable salts thereof CELGENE CORPORATION (US) 2017-07-04 — — US disclosed
US-20150361066-A1 PROCESSES FOR THE PREPARATION OF ISOTOPOLOGUES OF 3-(4-((4-(MORPHOLINOMETHYL)BENZYL)OXY)-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CELGENE CORPORATION 2015-12-17 — — 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-20150361066-A1 PROCESSES FOR THE PREPARATION OF ISOTOPOLOGUES OF 3-(4-((4-(MORPHOLINOMETHYL)BENZYL)OXY)-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF DHPS, DAD1, AQP1 MEN1 2429/4885KMT2A 4183/4885GAA 1309/4885
US-20170267658-A1 PROCESSES FOR THE PREPARATION OF ISOTOPOLOGUES OF 3-(4-((4-(MORPHOLINOMETHYL)BENZYL)OXY)-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF DHPS, AQP4, AQP1 MEN1 2444/4885KMT2A 2914/4885GAA 1576/4885

“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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