SCHEMBL17504259

SCHEMBL17504259

C1CC(COC2C[C@H]3CC[C@@H](C2)N3)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A4 P31645 12/20 0.36
SLC6A2 P23975 9/20 0.36
SLC6A3 Q01959 9/20 0.36
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL16122380 1.00 CTSL (0.39) CTSLCTSBCTSKDRD2DRD3
SCHEMBL17504258 1.00 CTSL (0.39) CTSLCTSBCTSKDRD2DRD3
SCHEMBL12012196 0.94 CTSL (0.46) CTSLCTSBCTSKDRD2DRD3
Hydrochloric Acid SCHEMBL3522017 0.92 CTSL (0.44) CTSLCTSBCTSKDRD2DRD3
Hydrochloric Acid SCHEMBL3522018 0.92 CTSL (0.44) CTSLCTSBCTSKDRD2DRD3
SCHEMBL4089865 0.91 SLC6A4 (0.38) CTSLCTSBCTSKDRD2DRD3
SCHEMBL16122368 0.91 SLC6A4 (0.38) CTSLCTSBCTSKDRD2DRD3
Hydrochloric Acid SCHEMBL3522545 0.89 DRD2 (0.37) CTSLCTSBCTSKDRD2DRD3
Hydrochloric Acid SCHEMBL3522546 0.89 DRD2 (0.37) CTSLCTSBCTSKDRD2DRD3
SCHEMBL24603001 0.71 SLC6A4 (0.39) DRD2DRD3SLC6A4SLC6A2SLC6A3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670209-B2 Muscarinic agonists ACADIA PHARMACEUTICALS INC. (US) 2017-06-06 US disclosed
US-20160039819-A1 MUSCARINIC AGONISTS ALLERGAN, INC. 2016-02-11 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-20160039819-A1 MUSCARINIC AGONISTS CHRM3, CHRM2, CHRM1 CTSL 2756/4885CTSB 2333/4885CTSK 2422/4885

“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.