SCHEMBL25833019

SCHEMBL25833019

CCCN1CCN(Cc2ccc(COC(C)C)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 5/20 0.44
TP53 P04637 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.42
MC4R P32245 1/20 0.41
MBTD1 Q05BQ5 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41

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
SCHEMBL23696647 0.87 ALDH1A1 (0.59) ALDH1A1NPC1TP53RAB9AMEN1
SCHEMBL23945807 0.83 NPC1 (0.42) ALDH1A1NPC1TP53RAB9AMEN1
SCHEMBL25468604 0.79 HTR1A (0.42) SIGMAR1HRH3
SCHEMBL22794049 0.79 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL22802248 0.76 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ASMN1; SMN2SIGMAR1
SCHEMBL19509278 0.76 CYP4F2 (0.51) ALDH1A1RAB9AKDM4ESMN1; SMN2GAA
SCHEMBL22802858 0.75 LMNA (0.73) ALDH1A1NPC1TP53RAB9AMEN1
SCHEMBL26229511 0.75 HRH3 (0.72) ALDH1A1NPC1TP53RAB9AMEN1
SCHEMBL8097472 0.74 SIGMAR1 (0.72) SIGMAR1LMNAMC4R
SCHEMBL6744977 0.74 SIGMAR1 (0.72) SIGMAR1LMNAMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230132715-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-04 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-20230132715-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885NPC1 3159/4885TP53 1474/4885
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885NPC1 3159/4885TP53 1474/4885

“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.