SCHEMBL13850484

SCHEMBL13850484

CCN1CCN(CCOC)C(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
P2RX7 Q99572 1/20 0.39
NPC1 O15118 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RECQL P46063 1/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
RAB9A P51151 3/20 0.37
PARP1 P09874 1/20 0.36
RGS4 P49798 1/20 0.36
RGS8 P57771 1/20 0.36
PIK3CD O00329 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LRRK2 Q5S007 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL24801722 0.85 P2RX7 (0.39) ALOX15HSD17B10P2RX7NPC1MEN1
SCHEMBL20793140 0.83 P2RX7 (0.40) ALOX15HSD17B10P2RX7NPC1MEN1
SCHEMBL7896130 0.82 POLB (0.44) P2RX7NPC1MEN1KMT2ARECQL
SCHEMBL20793372 0.80 P2RX7 (0.41) ALOX15HSD17B10P2RX7NPC1MEN1
SCHEMBL9848826 0.79 P2RX7 (0.39) ALOX15HSD17B10P2RX7NPC1RAB9A
SCHEMBL23875186 0.79 ALOX15 (0.38) ALOX15NPC1MEN1KMT2ARECQL
SCHEMBL24801766 0.79 KMT2A (0.41) NPC1MEN1KMT2ARECQLSLC6A2
SCHEMBL14447389 0.77 MCHR1 (0.43) NPC1RAB9APOLB
SCHEMBL12706449 0.77 P2RX7 (0.40) ALOX15HSD17B10P2RX7NPC1SLC6A2
SCHEMBL14094400 0.77 ALDH1A1 (0.42) ALOX15HSD17B10P2RX7PARP1RGS4

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
WO-2022269508-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2022-12-29 WO disclosed
WO-2019046150-A1 MACROCYCLIC COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2019-03-07 WO disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 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-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS ALOX15 2813/4885HSD17B10 2265/4885P2RX7 149/4885

“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.