SCHEMBL29310682

SCHEMBL29310682

CCc1ccc(N2CC3CCC2CN3C)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.36
MGLL Q99685 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
POLB P06746 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
SLC6A3 Q01959 1/20 0.33
ACHE P22303 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
SCHEMBL19251718 0.87 HSD11B1 (0.56) HSD11B1KDM4ENPC1RAB9AGAA
SCHEMBL29580452 0.79 SOS1 (0.39) KDM4ENPC1RAB9AGAASMN1; SMN2
SCHEMBL6620926 0.79 HRH4 (0.46) HSD11B1HRH4SLC6A3
SCHEMBL21142813 0.79 CHRNA7 (0.43) HRH3
SCHEMBL29310680 0.77 KCNH2 (0.38)
SCHEMBL21250693 0.77 HTT (0.50) RAB9AGAAPOLB
SCHEMBL24352932 0.77 KCNH2 (0.41) MGLLHRH4
SCHEMBL21250691 0.74 USP2 (0.46) KDM4EGAAHRH3POLB
SCHEMBL29581173 0.73 MEN1 (0.48) POLB
SCHEMBL6619616 0.72 HRH4 (0.41) HRH4SLC6A3

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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, 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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B HSD11B1 2910/4885KDM4E 360/4885NPC1 3958/4885

“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.