SCHEMBL12158286

SCHEMBL12158286

CC(C)(C)CN1CCN(CCC(=O)O)CCN(CC(=O)OC(C)(C)C)CCN(CC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
PLA2G10 O15496 2/20 0.34
PLA2G5 P39877 2/20 0.34
CACNA1H O95180 1/20 0.34
APEX1 P27695 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
KCNA3 P22001 1/20 0.30
DRD2 P14416 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
SCHEMBL20678135 0.93 GLA (0.43) GLAPLA2G10PLA2G5CACNA1HAPEX1
SCHEMBL15938241 0.93 GLA (0.43) GLAPLA2G10PLA2G5CACNA1HAPEX1
SCHEMBL15831754 0.88 HSD17B10 (0.37) PLA2G10PLA2G5CACNA1HSMN1; SMN2CHRM2
SCHEMBL12158290 0.87 SMN1; SMN2 (0.43) PLA2G10PLA2G5CACNA1HSMN1; SMN2SIGMAR1
SCHEMBL16656261 0.87 GLA (0.39) GLAPLA2G10PLA2G5CACNA1HAPEX1
SCHEMBL12156742 0.84 GLA (0.50) GLAAPEX1SMN1; SMN2CYP1A2MAPK1
SCHEMBL20678137 0.84 SIGMAR1 (0.40) GLAPLA2G10PLA2G5CACNA1HSMN1; SMN2
SCHEMBL17119745 0.84 HSD17B10 (0.36) GLAPLA2G10PLA2G5CACNA1HSMN1; SMN2
SCHEMBL20678139 0.84 HSD17B10 (0.36) GLAPLA2G10PLA2G5CACNA1HSMN1; SMN2
Bromide SCHEMBL5132382 0.81 CYP1A2 (0.47) GLAPLA2G10PLA2G5CACNA1HSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8911710-B2 Intravascular contrast agents AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-12-16 US disclosed
US-20110268663-A1 INTRAVASCULAR CONTRAST AGENTS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-11-03 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-20110268663-A1 INTRAVASCULAR CONTRAST AGENTS C3AR1, CD47, C5AR2 GLA 2952/4885PLA2G10 1099/4885PLA2G5 800/4885

“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.