SCHEMBL29296168

SCHEMBL29296168

CC(=O)N1CCC(C(C)C)N(C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.42
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 6/20 0.41
EPHX1 P07099 2/20 0.38
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
QDPR P09417 1/20 0.34
BRD4 O60885 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 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
SCHEMBL17999702 0.84 PIK3CD (0.39) PIK3CDCYP1A2TDP1EPHX2CYP2D6
SCHEMBL12566544 0.84 PIK3CD (0.39) PIK3CDCYP1A2TDP1EPHX2CYP2D6
SCHEMBL29296169 0.81 MEN1 (0.38) EPHX2CYP2D6KCNH2HRH3MEN1
SCHEMBL2706023 0.76 L3MBTL1 (0.30)
SCHEMBL17973808 0.76 L3MBTL1 (0.30)
SCHEMBL29299287 0.75 HSD11B1 (0.30)
SCHEMBL680019 0.72 PIK3CD (0.45) PIK3CDCYP1A2TDP1EPHX2EPHX1
SCHEMBL20963235 0.71 NCF1 (0.32)
SCHEMBL37407 0.68
SCHEMBL860793 0.68 CYP1A2 (0.77) PIK3CDCYP1A2TDP1EPHX2HRH3

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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS PIK3CD 932/4885CYP1A2 4351/4885TDP1 705/4885

“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.