SCHEMBL21472200

SCHEMBL21472200

CC(C)COCCN1CC[C@H](NC(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
HRH2 P25021 5/20 0.33
HRH1 P35367 5/20 0.33
HRH3 Q9Y5N1 1/20 0.32
HTR7 P34969 4/20 0.32
HTR1A P08908 3/20 0.31
DRD2 P14416 2/20 0.31
HTR6 P50406 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
LTA4H P09960 1/20 0.31

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
SCHEMBL18611442 0.91 KDM1A (0.36) KDM1AHTR7HTR1ADRD2HTR6
SCHEMBL20325149 0.84 KDM1A (0.45) KDM1AHRH2HRH1HRH3HTR7
SCHEMBL21215059 0.80 KDM1A (0.41) KDM1AHRH2HRH1HRH3HTR7
SCHEMBL18591812 0.79 KCNH2 (0.38) KDM1AHRH2HRH1HRH3HTR7
SCHEMBL23695901 0.79 KDM1A (0.32) KDM1AHRH2HRH1HRH3HTR7
SCHEMBL20463166 0.76 KDM1A (0.49) KDM1AHTR7HTR1ADRD2HTR6
SCHEMBL21025868 0.74 CYP2D6 (0.40) KDM1AHRH1HRH3HTR7HTR1A
SCHEMBL24508477 0.73 KDM1A (0.31) KDM1AHTR7HTR1A
SCHEMBL18591791 0.73 GBA2 (0.34) KDM1AHRH3HTR7HTR1A
SCHEMBL24774552 0.71 KDM4E (0.34) CYP2D6

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-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 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-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL KDM1A 1754/4885HRH2 4040/4885HRH1 3498/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL KDM1A 1754/4885HRH2 4040/4885HRH1 3498/4885

“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.