SCHEMBL30824486

SCHEMBL30824486

CN1CCC(c2ccc3ccccc3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HTR3A P46098 2/20 0.53
HRH4 Q9H3N8 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
CYP1A2 P05177 1/20 0.53
THPO P40225 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
XBP1 P17861 1/20 0.49
KLF5 Q13887 1/20 0.49
SMO Q99835 1/20 0.45
IDO1 P14902 1/20 0.44
HTR6 P50406 2/20 0.43

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
SCHEMBL4437035 1.00 HRH3 (0.53) HRH3KDM4EALDH1A1HTR3AHRH4
SCHEMBL29390450 0.84 NPC1 (0.52) HRH3KDM4EALDH1A1CYP1A2THPO
SCHEMBL902873 0.84 NPC1 (0.52) HRH3KDM4EALDH1A1CYP1A2THPO
SCHEMBL30824474 0.83 ALDH1A1 (0.47) HRH3KDM4EALDH1A1HTR3AHRH4
SCHEMBL13490425 0.81 KCNH2 (0.46) HRH3KDM4EALDH1A1HTR3AHRH4
SCHEMBL3525605 0.80 NPC1 (0.49) HRH3ALDH1A1CYP1A2NPC1MAPT
SCHEMBL15249325 0.80 MEN1 (0.43) HRH3ALDH1A1NPC1MAPTRAB9A
SCHEMBL30470170 0.80 BACE1 (0.41) HRH3HRH4CYP1A2HTR6MEN1
SCHEMBL25923174 0.80 BACE1 (0.41) HRH3HRH4CYP1A2HTR6MEN1
SCHEMBL20615088 0.79 NPC1 (0.47) HRH3ALDH1A1CYP1A2NPC1MAPT

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-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 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-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 HRH3 4094/4885KDM4E 376/4885ALDH1A1 3122/4885

“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.