SCHEMBL23946138

SCHEMBL23946138

N[C@H]1C[C@H](OC2CCN(CC(=O)OCc3ccccc3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2C19 P33261 2/20 0.43
HRH1 P35367 1/20 0.42
BCHE P06276 4/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL16900141 0.86 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL26037406 0.84 HTR2C (0.47) SMN1; SMN2ALDH1A1CYP2C19HRH1BCHE
SCHEMBL21997640 0.83 SMN1; SMN2 (0.63) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL25726362 0.83 SMN1; SMN2 (0.63) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL29152472 0.82 SMN1; SMN2 (0.62) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL27278124 0.81 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CYP2C19BCHENPC1
SCHEMBL22280532 0.81 LTA4H (0.48) SMN1; SMN2ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL23027037 0.81 LTA4H (0.48) SMN1; SMN2ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL16228724 0.79 NPC1 (0.53) SMN1; SMN2ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL24251635 0.79 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1CYP2C19NPC1RAB9A

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-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 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 (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-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 SMN1; SMN2 2647/4885ALDH1A1 2776/4885CYP2C19 3990/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 SMN1; SMN2 2647/4885ALDH1A1 2776/4885CYP2C19 3990/4885

“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.