SCHEMBL23945597

SCHEMBL23945597

CC(C)CN1CCC(C(C)C(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.41
HRH3 Q9Y5N1 1/20 0.37
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CYP2D6 P10635 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC18A3 Q16572 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
CYP3A4 P08684 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
SCHEMBL6124875 0.82 PIK3CD (0.43) PIK3CDHRH3ROCK2ROCK1CYP2D6
SCHEMBL3421117 0.79 PIK3CD (0.41) PIK3CDHRH3CYP2D6SMN1; SMN2KDM4E
SCHEMBL23696545 0.79 HRH3 (0.40) PIK3CDHRH3
SCHEMBL18074011 0.78 PIK3CD (0.45) PIK3CDHRH3CYP2D6SMN1; SMN2KDM4E
SCHEMBL3419598 0.78 PIK3CD (0.44) PIK3CDHRH3CYP2D6SMN1; SMN2KDM4E
SCHEMBL9976596 0.78 PIK3CD (0.45) PIK3CDHRH3CYP2D6SMN1; SMN2KDM4E
SCHEMBL1687229 0.76 PIK3CD (0.42) PIK3CDHRH3ROCK2ROCK1CYP2D6
SCHEMBL24607248 0.75 PIK3CD (0.42) PIK3CDHRH3KDM4E
SCHEMBL21311463 0.75 PIK3CD (0.45) PIK3CDHRH3ROCK2ROCK1CYP2D6
SCHEMBL14706856 0.75 PIK3CD (0.45) PIK3CDHRH3ROCK2ROCK1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020068-A1 BACTERIAL TOPOISOMERASE INHIBITORS OHIO STATE INNOVATION FOUNDATION (US) 2024-01-25 WO disclosed
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 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-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 PIK3CD 321/4885HRH3 3631/4885ROCK2 2938/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PIK3CD 321/4885HRH3 3631/4885ROCK2 2938/4885

“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.