SCHEMBL12829317

SCHEMBL12829317

CCC1CC(N2CCN(C(C)=O)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 2/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
RET P07949 2/20 0.34
KIF5B P33176 2/20 0.34
KDR P35968 1/20 0.34
EPHX1 P07099 1/20 0.33
MAPT P10636 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 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
SCHEMBL22938522 0.85 SETD2 (0.38) CYP1A2TDP1POLBKDM4EHRH3
SCHEMBL16809205 0.84 MEN1 (0.43) PIK3CDCYP1A2TDP1POLBKDM4E
SCHEMBL20355941 0.84 MEN1 (0.43) PIK3CDCYP1A2TDP1POLBKDM4E
SCHEMBL14826535 0.81 OPRM1 (0.36) PIK3CDCYP1A2TDP1EPHX2POLB
SCHEMBL15450907 0.79 CYP1A2 (0.46) PIK3CDCYP1A2TDP1EPHX2POLB
SCHEMBL19356002 0.77 TDP1 (0.52) PIK3CDCYP1A2TDP1KDM4EHRH3
SCHEMBL1441955 0.77 CYP1A2 (0.45) PIK3CDCYP1A2TDP1EPHX2POLB
SCHEMBL12651153 0.76 CHRM1 (0.45) TDP1EPHX2POLBKDM4EEPHX1
SCHEMBL15508283 0.76 CYP1A2 (0.52) PIK3CDCYP1A2TDP1EPHX2POLB
SCHEMBL23570938 0.76 PIK3CD (0.44) PIK3CDCYP1A2TDP1EPHX2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 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-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 PIK3CD 71/4885CYP1A2 4806/4885TDP1 1102/4885

“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.