SCHEMBL3700583

SCHEMBL3700583

O=CN(CCO)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
SLC29A1 Q99808 4/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
PDE2A O00408 1/20 0.32
RGS12 O14924 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCC5 O15440 1/20 0.32
PDE6D O43924 1/20 0.32
PDE8A O60658 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
PDE5A O76074 1/20 0.32
ABCB11 O95342 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL3710483 0.74 ADH1A (0.38) SMN1; SMN2
SCHEMBL28684578 0.73 ADH1A (0.43) SMN1; SMN2KDM4EMEN1TSHRKMT2A
SCHEMBL1749630 0.71 ADH1C (0.34) SMN1; SMN2
SCHEMBL7484010 0.68 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL9435781 0.67 SLC29A1 (0.32) SMN1; SMN2SLC29A1KDM4EMEN1PDE2A
SCHEMBL7730986 0.64 SMN1; SMN2 (0.39) SMN1; SMN2TSHRKMT2A
SCHEMBL14152963 0.62
SCHEMBL9435862 0.62 TDP1 (0.35) MEN1ALDH1A1KMT2ATDP1
SCHEMBL2087045 0.61 ADH1A (0.61) SLC29A1
SCHEMBL1851134 0.61 SMN1; SMN2 (0.37) SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765676-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO PHARMA A/S (DK) 2014-07-01 US claimed
US-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-05-17 US claimed
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 WO claimed
US-8765676-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO PHARMA A/S (DK) 2014-07-01 US disclosed
US-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-05-17 US disclosed
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 WO 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-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF CASR, SARAF, ORAI1 SMN1; SMN2 3907/4885SLC29A1 1784/4885KDM4E 3215/4885

“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.