SCHEMBL18664005

SCHEMBL18664005

CC[C@@H]1CCN(CC(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.44
HRH3 Q9Y5N1 3/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
ACHE P22303 1/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL19501163 1.00 PIK3CD (0.44) PIK3CDHRH3DPP8DPP7GSK3B
SCHEMBL18427493 0.88 PIK3CD (0.41) PIK3CDACHEPOLB
SCHEMBL12436 0.88 PIK3CD (0.41) PIK3CDACHEPOLB
SCHEMBL27283973 0.88 PIK3CD (0.41) PIK3CDACHEPOLB
SCHEMBL1687229 0.87 PIK3CD (0.42) PIK3CDHRH3CYP2D6SMN1; SMN2
SCHEMBL10150975 0.82 PIK3CD (0.50) PIK3CD
SCHEMBL26286608 0.82 DPP8 (0.35) DPP8DPP7ACHE
SCHEMBL21660212 0.82 CARM1 (0.34) PIK3CDDPP8DPP7
SCHEMBL22752520 0.82 NCF1 (0.43) PIK3CDHRH3GSK3BDYRK1AACHE
SCHEMBL1515214 0.82 PIK3CD (0.42) PIK3CDHRH3GSK3BDYRK1ACYP2D6

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-4227302-A1 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2023-08-16 EP disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
WO-2017045751-A1 COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 WO 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-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP PIK3CD 1645/4885HRH3 3154/4885DPP8 1835/4885

“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.