SCHEMBL21070445

SCHEMBL21070445

C#CCN1CCO[C@@H](CCN(C)C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.40
▸ ENPP2 Q13822 2/20 0.34
▸ DRD4 P21917 7/20 0.33
▸ MAOB P27338 2/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ PDK1 Q15118 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL21070814 1.00 BCHE (0.40) BCHEENPP2DRD4MAOBDRD2
SCHEMBL26923812 0.87 BCHE (0.41) BCHEMAOBPDK1
SCHEMBL26925497 0.87 BCHE (0.41) BCHEMAOBPDK1
SCHEMBL21106590 0.84 DRD4 (0.35) BCHEDRD4DRD2DRD3CYP1A2
SCHEMBL21107366 0.84 DRD4 (0.35) BCHEDRD4DRD2DRD3CYP1A2
SCHEMBL21069780 0.80 DRD4 (0.42) BCHEENPP2DRD4MAOBDRD2
SCHEMBL21070880 0.80 DRD4 (0.42) BCHEENPP2DRD4MAOBDRD2
SCHEMBL24379897 0.74 DRD4 (0.41) BCHEENPP2DRD4DRD2DRD3
SCHEMBL21071408 0.73 BCHE (0.39) BCHEMAOBPDK1
SCHEMBL21070687 0.73 BCHE (0.39) BCHEMAOBPDK1

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-11723980-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-08-15 — — US disclosed
US-20230106066-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-06 — — US disclosed
US-11318205-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-05-03 — — 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 (5 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 BCHE 2634/4885ENPP2 1575/4885DRD4 4363/4885
US-20230106066-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 BCHE 2634/4885ENPP2 1575/4885DRD4 4363/4885
US-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 BCHE 2634/4885ENPP2 1575/4885DRD4 4363/4885
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 BCHE 2634/4885ENPP2 1575/4885DRD4 4363/4885
US-11318205-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 BCHE 2634/4885ENPP2 1575/4885DRD4 4363/4885

“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.

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