SCHEMBL12226508

SCHEMBL12226508

CC(=O)CN(C)C1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.50
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD11B1 P28845 1/20 0.32
S1PR3 Q99500 2/20 0.31
CNR2 P34972 1/20 0.31
ABHD6 Q9BV23 2/20 0.30
S1PR1 P21453 1/20 0.30
SLC6A9 P48067 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
SCHEMBL12226514 0.89 PIK3CD (0.41) PIK3CDKDM4EPOLBNPC1RAB9A
SCHEMBL12226512 0.89 PIK3CD (0.41) PIK3CDKDM4EPOLBNPC1RAB9A
SCHEMBL2305763 0.86 PIK3CD (0.48) PIK3CDKDM4EALDH1A1POLBNPC1
SCHEMBL13209127 0.84 PIK3CD (0.50) PIK3CDKDM4EALDH1A1POLBNPC1
SCHEMBL7805428 0.81 ALDH1A1 (0.42) ALDH1A1POLB
SCHEMBL21203835 0.80 PIK3CD (0.50) PIK3CDALDH1A1NPC1RAB9A
SCHEMBL13209129 0.79 PIK3CD (0.46) PIK3CDKDM4EALDH1A1POLBHSD11B1
SCHEMBL12226510 0.79 PIK3CD (0.31) PIK3CD
SCHEMBL7812304 0.76 SLC6A4 (0.36)
SCHEMBL28724713 0.75 PIK3CD (0.42) PIK3CDKDM4EALDH1A1POLBHSD11B1

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-8044206-B2 Nitrogen—containing heterocyclic derivatives having 2,6-disubstituted styryl ASTELLAS PHARMA INC. (JP) 2011-10-25 US disclosed
US-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl ASTELLAS PHARMA INC. AND KOTOBUKI PHARMACEUTICAL CO., LTD. 2007-05-03 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-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl SCN1B, CACNA1B, SCN2A PIK3CD 921/4885KDM4E 1599/4885ALDH1A1 2549/4885

“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.