SCHEMBL17299334

SCHEMBL17299334

CCN1CCN(C)CCN(C)CCN(CC(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.45
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 2/20 0.33
SLC2A1 P11166 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL20119084 0.92 PIK3CD (0.40) PIK3CDGAAKDM4EGLACYP2D6
SCHEMBL22013047 0.91 PIK3CD (0.52) PIK3CDGAAKDM4ECYP2D6SMN1; SMN2
SCHEMBL14328666 0.91 PIK3CD (0.52) PIK3CDGAAKDM4ECYP2D6SMN1; SMN2
SCHEMBL101927 0.91 PIK3CD (0.52) PIK3CDGAAKDM4EGLACYP2D6
SCHEMBL7907337 0.91 PIK3CD (0.52) PIK3CDGAAKDM4ECYP2D6SMN1; SMN2
SCHEMBL22300882 0.91 PIK3CD (0.52) PIK3CDGAAKDM4ECYP2D6SMN1; SMN2
SCHEMBL14328670 0.84 PIK3CD (0.46) PIK3CDGAAKDM4EPOLBTSHR
SCHEMBL14328851 0.84 PIK3CD (0.46) PIK3CDGAAKDM4EPOLBTSHR
SCHEMBL13907143 0.84 PIK3CD (0.47) PIK3CDKDM4ECYP2D6SMN1; SMN2MAPT
SCHEMBL2323195 0.83

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-10010629-B2 Compositions and methods for in vivo imaging THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-03 US disclosed
US-20150343094-A1 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-12-03 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 (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-20150343094-A1 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING PLIN3, SGMS1, SGMS2 PIK3CD 420/4885GAA 955/4885KDM4E 3957/4885
US-10010629-B2 Compositions and methods for in vivo imaging PLIN3, SGMS1, SGMS2 PIK3CD 420/4885GAA 955/4885KDM4E 3957/4885

“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.