SCHEMBL27106924

SCHEMBL27106924

CC(C)[C@@H]1C2CCc3cnn(C(C)C)c3CCC21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.37
DRD2 P14416 1/20 0.37
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL18199156 1.00 DRD4 (0.37) DRD4DRD2PSEN1PSEN2APH1B
SCHEMBL19129893 1.00 DRD4 (0.37) DRD4DRD2PSEN1PSEN2APH1B
SCHEMBL8206953 0.75 DRD4 (0.45) DRD4DRD2PDE10A
SCHEMBL22908472 0.75 PSEN1 (0.37) DRD4DRD2PSEN1PSEN2APH1B
SCHEMBL22151085 0.74 PLAU (0.37) DRD4DRD2PSEN1PSEN2APH1B
SCHEMBL22429827 0.74 GRM5 (0.38)
SCHEMBL23799094 0.74 GRM5 (0.38)
SCHEMBL20987585 0.74 GRM5 (0.38)
SCHEMBL23799156 0.74 GRM5 (0.38)
SCHEMBL22908512 0.74 PSEN1 (0.37) DRD4DRD2PSEN1PSEN2APH1B

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-20240066133-A1 THERAPEUTIC AGENTS AND CONJUGATES THEREOF AJ SCIENCES (YIXING) CO., LTD (CN) 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-20240066133-A1 THERAPEUTIC AGENTS AND CONJUGATES THEREOF TLR9, STING1, TLR3 DRD4 2450/4885DRD2 1865/4885PSEN1 4712/4885

“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.