SCHEMBL21025630

SCHEMBL21025630

Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.33
AKR1C3 P42330 1/20 0.32
HTT P42858 2/20 0.32
LIPE Q05469 3/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
ADRB1 P08588 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
SCHEMBL20234514 0.85 HSD11B1 (0.38) AKR1C3
SCHEMBL2391102 0.85 KDM4E (0.33) MAPTNPSR1L3MBTL1ALDH1A1AKR1C3
SCHEMBL20234511 0.85 HSD11B1 (0.38) AKR1C3
SCHEMBL21025889 0.81 HSD11B1 (0.41) DRD2DRD4DRD3
SCHEMBL2392194 0.79 SIRT6 (0.40) MAPTLMNAALDH1A1ADRB1
SCHEMBL7243686 0.77 KCNH2 (0.45) MAPTNPSR1TDP1LMNAL3MBTL1
SCHEMBL20322515 0.77 KCNH2 (0.45) MAPTNPSR1TDP1LMNAL3MBTL1
SCHEMBL20231005 0.77 KCNH2 (0.45) MAPTNPSR1TDP1LMNAL3MBTL1
SCHEMBL18356972 0.77 HDAC1 (0.43) LMNA
SCHEMBL12142421 0.77 HDAC2 (0.38) AKR1C3HTTDRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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 MAPT 1386/4885NPSR1 3960/4885TDP1 1027/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 MAPT 1386/4885NPSR1 3960/4885TDP1 1027/4885

“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.