SCHEMBL29317016

SCHEMBL29317016

CC(=O)N1CCC(CCC(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.42
HSD17B10 Q99714 1/20 0.38
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
EPHX2 P34913 2/20 0.36
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
EPHX1 P07099 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
BRD4 O60885 1/20 0.34

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
SCHEMBL13065450 0.91 PIK3CD (0.47) PIK3CDHSD17B10EPHX2EPHX1MEN1
SCHEMBL17522138 0.84 PIK3CD (0.43) PIK3CDHSD17B10DPP8DPP7EPHX2
SCHEMBL17522201 0.84 PIK3CD (0.43) PIK3CDHSD17B10DPP8DPP7EPHX2
SCHEMBL17522199 0.84 PIK3CD (0.43) PIK3CDHSD17B10DPP8DPP7EPHX2
SCHEMBL18897210 0.81 GNAI3 (0.40) DPP8DPP7EPHX2EPHX1BRD4
SCHEMBL19277102 0.81 AKR1C3 (0.45) EPHX2EPHX1BRD4
SCHEMBL13509613 0.81 GNAI3 (0.40) DPP8DPP7EPHX2EPHX1BRD4
SCHEMBL22968035 0.81 AKR1C3 (0.45) EPHX2EPHX1BRD4
SCHEMBL27383617 0.81 AKR1C3 (0.45) EPHX2EPHX1BRD4
SCHEMBL13251384 0.81 PIK3CD (0.44) PIK3CDHSD17B10EPHX2EPHX1MEN1

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-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 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-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD PIK3CD 3368/4885HSD17B10 1263/4885DPP8 2072/4885

“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.