SCHEMBL4184435

SCHEMBL4184435

CC1(C)OCC(C(N)=O)CO1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CA2 P00918 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
APLNR P35414 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
CYP2D6 P10635 1/20 0.30
PKM P14618 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL15804441 0.80 APLNR (0.33) SMN1; SMN2LMNABLMPMP22APLNR
SCHEMBL5532753 0.78 APLNR (0.48) SMN1; SMN2LMNAALOX15BLMPMP22
SCHEMBL26965811 0.77 APLNR (0.38) GAASMN1; SMN2LMNAALOX15TDP1
SCHEMBL26535538 0.76 APLNR (0.31) APLNRMAPT
SCHEMBL21293559 0.76 CA2 (0.33) CA2
SCHEMBL30237791 0.74 CHRNB2 (0.34) SMN1; SMN2LMNABLMPMP22APLNR
Lithium Ion SCHEMBL28600847 0.74 CA1 (0.30) APLNR
SCHEMBL31250265 0.74 GRM2 (0.33) GAASMN1; SMN2LMNAALOX15TDP1
SCHEMBL12699542 0.73 DPP4 (0.31)
SCHEMBL15742160 0.73 GAA (0.38) GAACA2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643055-B1 Proces for the preparation of 5-amino-2,2-dialkyl-1,3-dioxanes ZAMBON SPA (IT) 1997-10-08 EP claimed
US-5580993-A Process for the preparation of iopamidol and 5-amino-2,2-dialkyl-1,3-dioxanes ZAMBON GROUP S.P.A. (IT) 1996-12-03 US claimed
EP-0643055-A1 Proces for the preparation of 5-amino-2,2-dialkyl-1,3-dioxanes ZAMBON GROUP S.p.A. (IT) 1995-03-15 EP claimed
JP-7149755-A None JP disclosed
US-20150148543-A1 Methods and Compositions for the Synthesis of Multimerizing Agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-28 US disclosed
US-9024028-B2 Methods and compositions for the synthesis of multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-20140171649-A1 Methods and Compositions for the Synthesis of Multimerizing Agents ARIAD PHARMACEUTICALS, INC. (US) 2014-06-19 US disclosed
WO-2012103279-A2 METHODS AND COMPOSITIONS FOR THE SYNTHESIS OF MULTIMERIZING AGENTS ARIAD PHARMACEUTICALS, INCORPORATED (US) 2012-08-02 WO disclosed
US-20090076062-A1 Organic Compounds MAIBAUM JUERGEN KLAUS 2009-03-19 US disclosed
EP-0643055-B1 Proces for the preparation of 5-amino-2,2-dialkyl-1,3-dioxanes ZAMBON SPA (IT) 1997-10-08 EP disclosed
US-5580993-A Process for the preparation of iopamidol and 5-amino-2,2-dialkyl-1,3-dioxanes ZAMBON GROUP S.P.A. (IT) 1996-12-03 US disclosed
JP-H07149755-A PREPARATION OF 5-AMINO-2,2-DIALKYL-1,3-DIOXANE ZAMBON GROUP SPA 1995-06-13 JP disclosed
EP-0643055-A1 Proces for the preparation of 5-amino-2,2-dialkyl-1,3-dioxanes ZAMBON GROUP S.p.A. (IT) 1995-03-15 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 (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-20140171649-A1 Methods and Compositions for the Synthesis of Multimerizing Agents PIP5K1C, PIP4K2C, IPMK GAA 4258/4885SMN1; SMN2 3123/4885LMNA 2257/4885
US-20150148543-A1 Methods and Compositions for the Synthesis of Multimerizing Agents PARG, POLI, MCM6 GAA 1490/4885SMN1; SMN2 2241/4885LMNA 828/4885
US-20090076062-A1 Organic Compounds AGTR1, AGTR2, REN GAA 322/4885SMN1; SMN2 2362/4885LMNA 597/4885

“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.