SCHEMBL24673720

SCHEMBL24673720

CCCC(C)CN1CCC2(CC1)CCN(C(=O)CCC(C)C)CC2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.48
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.40
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
OPRD1 P41143 5/20 0.37
OPRK1 P41145 3/20 0.37
OPRM1 P35372 2/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 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
SCHEMBL23696625 0.91 CYP2D6 (0.45) CYP2D6ALDH1A1CYP3A4MAPK1CYP2C9
SCHEMBL23806767 0.91 CYP2D6 (0.44) CYP2D6ALDH1A1CYP3A4MAPK1CYP2C9
SCHEMBL26405029 0.89 CYP2D6 (0.48) CYP2D6ALDH1A1CYP3A4MAPK1CYP2C9
SCHEMBL23560014 0.87 CYP2D6 (0.61) CYP2D6ALDH1A1CYP3A4MAPK1CYP2C9
SCHEMBL24673717 0.84 CYP2D6 (0.47) CYP2D6ALDH1A1CYP3A4MAPK1CYP2C9
SCHEMBL25923662 0.83 CYP2D6 (0.47) CYP2D6ALDH1A1CYP3A4MAPK1CYP2C9
SCHEMBL27107664 0.82 CYP2D6 (0.56) CYP2D6ALDH1A1CYP3A4MAPK1CYP2C9
SCHEMBL25887973 0.82 CYP2D6 (0.41) CYP2D6ALDH1A1CYP3A4MAPK1CYP2C9
SCHEMBL25479692 0.82 CYP2D6 (0.48) CYP2D6ALDH1A1CYP3A4MAPK1CYP2C9
SCHEMBL26405428 0.82 L3MBTL1 (0.48) CYP2D6ALDH1A1CYP3A4ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-27 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 (1 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-20220340570-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CYP2D6 3599/4885ALDH1A1 2776/4885CYP3A4 2542/4885

“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.