SCHEMBL24672537

SCHEMBL24672537

CCCCC(C)CN1CCN(Cc2ccc(COC)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
TSHR P16473 1/20 0.46
HRH3 Q9Y5N1 6/20 0.45
TP53 P04637 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
SIGMAR1 Q99720 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNA1G O43497 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL25923241 0.92 NPC1 (0.45) NPC1RAB9ATSHRHRH3TP53
SCHEMBL23945808 0.81 SIGMAR1 (0.46) NPC1RAB9AHRH3TP53ALDH1A1
SCHEMBL26317521 0.79 SIGMAR1 (0.56) NPC1RAB9AHRH3TP53ALDH1A1
SCHEMBL24765472 0.77 NPC1 (0.42) NPC1RAB9ATSHRHRH3TP53
SCHEMBL23945982 0.76 RAB9A (0.44) NPC1RAB9ATSHRHRH3TP53
SCHEMBL22790807 0.76 ALDH1A1 (0.65) NPC1RAB9ATSHRHRH3TP53
SCHEMBL21587353 0.73 LMNA (0.62) NPC1RAB9AHRH3TP53ALDH1A1
SCHEMBL21587322 0.72 HRH3 (0.65) TSHRHRH3ALDH1A1MEN1KMT2A
SCHEMBL25829623 0.72 NCF1 (0.58) NPC1RAB9ATSHRTP53ALDH1A1
SCHEMBL25701636 0.71 NPC1 (0.41) NPC1RAB9ATSHRHRH3TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-27 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-20220340570-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 NPC1 3159/4885RAB9A 4270/4885TSHR 3319/4885

“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.