SCHEMBL22770541

SCHEMBL22770541

CC(C)CC1CNCCN1C(=O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.42
CHRNA3 P32297 4/20 0.42
CHRNA4 P43681 4/20 0.42
CHRNB3 Q05901 2/20 0.42
CHRNA6 Q15825 2/20 0.42
PIK3CD O00329 2/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPT P10636 1/20 0.36
DPP4 P27487 2/20 0.34
CHRNB4 P30926 2/20 0.33
CHRNA7 P36544 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL22770540 1.00 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14108450 0.83 CYP2D6 (0.40) CYP2D6SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL2598116 0.83 CYP2D6 (0.40) CYP2D6SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL1923137 0.83 CYP2D6 (0.40) CYP2D6SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL28928296 0.81 CYP2D6 (0.36) CYP2D6SLC6A2SLC6A4SLC6A3DPP4
Hydrochloric Acid SCHEMBL28720788 0.81 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL28058830 0.81 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15076331 0.81 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL9883365 0.78 CYP2D6 (0.34) CYP2D6SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL873440 0.75 PARP1 (0.51) CYP2D6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3727378-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME LLC (US) 2023-02-22 EP disclosed
US-11179389-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2021-11-23 US disclosed
US-20200390760-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2020-12-17 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 (2 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-20200390760-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA CHRNB2 1216/4885CHRNA3 820/4885CHRNA4 1196/4885
US-11179389-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA CHRNB2 1216/4885CHRNA3 820/4885CHRNA4 1196/4885

“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.