SCHEMBL22304540

SCHEMBL22304540

CC(C)CN1CCN(CC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.47
CYP2D6 P10635 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC2A1 P11166 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
COMT P21964 1/20 0.30

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
SCHEMBL24764641 0.86 CYP2D6 (0.54) PIK3CDCYP2D6SMN1; SMN2
SCHEMBL15304286 0.82 PIK3CD (0.31) PIK3CD
SCHEMBL10309676 0.82 PIK3CD (0.48) PIK3CDCYP2D6SMN1; SMN2COMT
SCHEMBL2001262 0.82
SCHEMBL1621691 0.82 PIK3CD (0.61) PIK3CDCYP2D6SMN1; SMN2SLC2A1NPC1
SCHEMBL24209746 0.82 PIK3CD (0.61) PIK3CDCYP2D6SMN1; SMN2SLC2A1NPC1
SCHEMBL20438377 0.82 PIK3CD (0.61) PIK3CDCYP2D6SMN1; SMN2SLC2A1NPC1
SCHEMBL19543019 0.82 HTR7 (0.34)
SCHEMBL12092353 0.82 HTR7 (0.34)
SCHEMBL11840677 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205807-A2 PROTEOLYSIS TARGETING CHIMERAS FOR HUMAN PREGNANE X RECEPTOR AND FOR DEGRADATION OF GSPT1 ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2023-10-26 WO disclosed
US-20230250091-A1 ASGPR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES LYCIA THERAPEUTICS, INC. 2023-08-10 US disclosed
US-20220175722-A1 DEGRADERS OF FIBROBLAST GROWTH FACTOR RECEPTOR 2 (FGFR2) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-09 US disclosed
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 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 (3 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-20220175722-A1 DEGRADERS OF FIBROBLAST GROWTH FACTOR RECEPTOR 2 (FGFR2) FGFR2, FGF2, FGFR1 PIK3CD 1652/4885CYP2D6 3133/4885SMN1; SMN2 766/4885
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 PIK3CD 678/4885CYP2D6 384/4885SMN1; SMN2 3077/4885
US-20230250091-A1 ASGPR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES ASGR1, LAMP2, FCGR2A PIK3CD 2102/4885CYP2D6 4035/4885SMN1; SMN2 4453/4885

“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.