SCHEMBL20985376

SCHEMBL20985376

Nc1cc(CN2CCCCC2)ccc1NC1CCC(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.46
ALOX15 P16050 2/20 0.43
SPR P35270 1/20 0.43
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
ALK Q9UM73 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
S1PR5 Q9H228 1/20 0.39
ACKR3 P25106 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL20985378 1.00 HRH3 (0.46) HRH3ALOX15SPRCYP2D6CYP2C9
SCHEMBL29124557 0.85 HRH3 (0.50) HRH3ALOX15ALDH1A1
SCHEMBL21026161 0.85 KDM4E (0.53) HRH3ALOX15ALKALDH1A1
SCHEMBL20985374 0.83 MAPK1 (0.56) ALDH1A1
SCHEMBL20985373 0.83 MAPK1 (0.56) ALDH1A1
SCHEMBL15192190 0.78 ALK (0.48) ALKACKR3
SCHEMBL572453 0.78 ALK (0.48) ALKACKR3
SCHEMBL4103146 0.75 HRH3 (0.50) HRH3CYP2D6ALDH1A1
SCHEMBL20985359 0.74 HDAC1 (0.47) ALOX15
SCHEMBL20985361 0.74 HDAC1 (0.47) ALOX15

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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 US disclosed
EP-3710443-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES Arvinas Operations, Inc. (US) 2020-09-23 EP disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 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 (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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 HRH3 2075/4885ALOX15 4415/4885SPR 3565/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 HRH3 2941/4885ALOX15 4514/4885SPR 3850/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 HRH3 2075/4885ALOX15 4415/4885SPR 3565/4885

“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.