SCHEMBL3554874

SCHEMBL3554874

CC(C)COC(=O)N1CCN(c2cc(-c3ccccc3O)ccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RET P07949 1/20 0.42
OPRD1 P41143 1/20 0.42
KCNH2 Q12809 1/20 0.42
SMO Q99835 1/20 0.42
HRH1 P35367 1/20 0.41
SLC6A15 Q9H2J7 1/20 0.41
HSD17B10 Q99714 3/20 0.40
HRH3 Q9Y5N1 5/20 0.40
ITGB2 P05107 4/20 0.40
ITGAL P20701 4/20 0.40
ICAM1 P05362 3/20 0.40
FAAH O00519 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL3532352 0.84 ITGB2 (0.47) GAASMN1; SMN2RETSMOHRH1
SCHEMBL12991337 0.84 ALDH1A1 (0.45) GAASMN1; SMN2RETSMOHRH1
SCHEMBL3548025 0.82 GAA (0.45) GAASMN1; SMN2RETHRH1SLC6A15
SCHEMBL13439444 0.82 GAA (0.46) GAASMN1; SMN2RETHRH3FAAH
SCHEMBL13404662 0.82 GAA (0.46) GAASMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL12991321 0.80 MAPT (0.46) GAASMN1; SMN2HSD17B10FAAHSMARCA2
SCHEMBL3532899 0.80 SMN1; SMN2 (0.47) GAASMN1; SMN2RETSMOHSD17B10
SCHEMBL12781798 0.76 SMN1; SMN2 (0.53) GAASMN1; SMN2HSD17B10FAAHKDM4E
SCHEMBL3207639 0.75 GAA (0.43) GAASMN1; SMN2HSD17B10SMARCA2SMARCA4
SCHEMBL12991318 0.75 LRRK2 (0.49) RETSMOHSD17B10ITGB2ITGAL

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-7683065-B2 Pyridines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 US disclosed
US-7683065-B2 Pyridines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 US disclosed
US-7683065-B2 Pyridines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 US disclosed
US-20070082889-A1 Pyridines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-04-12 US disclosed
US-20070082889-A1 Pyridines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-04-12 US disclosed
US-20070082889-A1 Pyridines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-04-12 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 (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-20070082889-A1 Pyridines useful as modulators of ion channels KCNH2, KCNQ1, KCNQ2 GAA 2521/4885SMN1; SMN2 901/4885RET 3883/4885

“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.