SCHEMBL23945427

SCHEMBL23945427

CC(C)NCCOCC1CCN(CC(C)(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ADRB1 P08588 2/20 0.33
LMNA P02545 2/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM4 P08173 1/20 0.32
ADRB2 P07550 1/20 0.32
GAA P10253 1/20 0.32
BLM P54132 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 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
SCHEMBL23945273 0.93 SIGMAR1 (0.35) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL23806682 0.85 SIGMAR1 (0.35) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL24673860 0.84 HRH3 (0.35) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL26408317 0.81 SIGMAR1 (0.33) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL25122599 0.80 ADRB1 (0.34) SIGMAR1ADRB1LMNACYP2D6MEN1
SCHEMBL23945437 0.79 DRD2 (0.36) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL25726118 0.78 KCNH2 (0.32) SIGMAR1CHRM4
SCHEMBL25122511 0.78 ADRB1 (0.33) SIGMAR1ADRB1LMNACYP2D6MEN1
SCHEMBL25122526 0.78 ADRB1 (0.33) SIGMAR1ADRB1LMNACYP2D6MEN1
SCHEMBL23696009 0.77 SIGMAR1 (0.36) SIGMAR1DRD2HTR2AHTR2CHTR2B

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 SIGMAR1 3199/4885DRD2 4346/4885HTR2A 3621/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 SIGMAR1 3199/4885DRD2 4346/4885HTR2A 3621/4885

“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.