SCHEMBL21026170

SCHEMBL21026170

CN[C@H]1C[C@H](OC2CCN(CC(C)C)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
NAMPT P43490 1/20 0.33
PIK3CD O00329 2/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CYP2D6 P10635 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL25123547 0.86 NAMPT (0.36) HRH3CARM1PRMT6NAMPT
SCHEMBL20129353 0.86 HRH3 (0.39) HRH3NAMPTPIK3CDROCK2ROCK1
SCHEMBL25888121 0.86 HRH3 (0.39) HRH3NAMPTPIK3CDROCK2ROCK1
SCHEMBL21472222 0.84 HRH3 (0.38) HRH3NAMPTPIK3CDROCK2ROCK1
SCHEMBL23560035 0.84 HRH3 (0.49) HRH3CARM1PRMT6NAMPTPIK3CD
SCHEMBL20443206 0.83 HRH3 (0.37) HRH3NAMPTPIK3CDROCK2ROCK1
SCHEMBL25916228 0.83 HRH3 (0.40) HRH3CARM1PRMT6NAMPTPIK3CD
SCHEMBL18592313 0.83 HRH3 (0.37) HRH3NAMPTPIK3CDROCK2ROCK1
SCHEMBL18551248 0.81 HRH3 (0.36) HRH3CARM1PRMT6MEN1KMT2A
SCHEMBL26375997 0.81 HRH3 (0.36) HRH3CARM1PRMT6MEN1KMT2A

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-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2022-12-22 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
US-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE UNIV YALE (US) 2020-04-23 US disclosed
US-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2020-03-31 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 (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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 HRH3 2075/4885CARM1 1489/4885PRMT6 1186/4885
US-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN HRH3 3605/4885CARM1 1401/4885PRMT6 1335/4885
US-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ADRM1, MDM2, ESR2 HRH3 3598/4885CARM1 1166/4885PRMT6 1080/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 HRH3 2075/4885CARM1 1489/4885PRMT6 1186/4885
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL HRH3 4061/4885CARM1 1156/4885PRMT6 843/4885

“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.