SCHEMBL21106970

SCHEMBL21106970

CCCCCCCC(CCCCCC)N1CC2(CN(CCCCCCC)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.40
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GNAI3 P08754 3/20 0.37
GNAO1 P09471 3/20 0.37
GNAI1 P63096 3/20 0.37
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR4 O95977 1/20 0.36
FDPS P14324 4/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
GBA1 P04062 1/20 0.34
BCHE P06276 1/20 0.32

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
SCHEMBL20892894 1.00 GUSB (0.40) GUSBEBPSIGMAR1GNAI3GNAO1
SCHEMBL21160999 0.86 FDPS (0.37) GUSBEBPSIGMAR1FDPS
SCHEMBL25834503 0.86 FDPS (0.37) GUSBEBPSIGMAR1FDPS
SCHEMBL21161001 0.86 FDPS (0.37) GUSBEBPSIGMAR1FDPS
SCHEMBL23695714 0.85 S1PR1 (0.43) GUSBEBPSIGMAR1GNAI3GNAO1
SCHEMBL24764520 0.85 S1PR1 (0.43) GUSBEBPSIGMAR1GNAI3GNAO1
SCHEMBL21106761 0.85 S1PR1 (0.43) GUSBEBPSIGMAR1GNAI3GNAO1
SCHEMBL23695711 0.85 GUSB (0.39) GUSBEBPSIGMAR1GNAI3GNAO1
SCHEMBL25836038 0.84 FDPS (0.35) FDPS
SCHEMBL25653853 0.79 S1PR1 (0.44) GUSBEBPSIGMAR1GNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11318205-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-05-03 US disclosed
US-11117889-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2021-09-14 US disclosed
US-10874743-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2020-12-29 US disclosed
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2019-06-27 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 (4 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-10874743-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 GUSB 1746/4885EBP 3184/4885SIGMAR1 3199/4885
US-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 GUSB 1746/4885EBP 3184/4885SIGMAR1 3199/4885
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 GUSB 1746/4885EBP 3184/4885SIGMAR1 3199/4885
US-11318205-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 GUSB 1746/4885EBP 3184/4885SIGMAR1 3199/4885

“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.