SCHEMBL22849045

SCHEMBL22849045

CCCN1CC2(CCN(C(=O)C(C)C)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.41
USP2 O75604 4/20 0.40
TSHR P16473 3/20 0.39
CYP1A2 P05177 4/20 0.39
HIF1A Q16665 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 3/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
VNN1 O95497 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL24508582 0.91 HRH2 (0.41) CYP2D6USP2TSHRCYP1A2HIF1A
SCHEMBL26229043 0.89 HRH2 (0.43) CYP2D6USP2TSHRCYP1A2HIF1A
SCHEMBL25730555 0.89 CYP2D6 (0.45) CYP2D6TSHRCYP1A2CYP2C9CYP3A4
SCHEMBL25469223 0.88 S1PR1 (0.43) CYP2D6USP2TSHRCYP1A2HIF1A
SCHEMBL22856411 0.86 CYP2D6 (0.43) CYP2D6USP2TSHRCYP1A2HIF1A
SCHEMBL22790690 0.83 CYP2D6 (0.41) CYP2D6USP2TSHRCYP1A2HIF1A
SCHEMBL25916710 0.83 CYP2D6 (0.39) CYP2D6USP2TSHRCYP1A2HIF1A
SCHEMBL23945341 0.83 CYP2D6 (0.36) CYP2D6USP2TSHRCYP1A2HIF1A
SCHEMBL25730318 0.82 ACE2 (0.39) CYP2D6USP2TSHRCYP1A2HIF1A
SCHEMBL25707175 0.82 CYP2D6 (0.34) CYP2D6USP2TSHRCYP1A2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11707457-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-07-25 US disclosed
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-13 US disclosed
WO-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed
WO-2020264490-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO 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 (3 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-20230219945-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CYP2D6 3599/4885USP2 141/4885TSHR 3319/4885
US-11779578-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CYP2D6 3599/4885USP2 141/4885TSHR 3319/4885
US-11707457-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CYP2D6 3599/4885USP2 141/4885TSHR 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.