SCHEMBL20234232

SCHEMBL20234232

CC(C)(C)NCc1cccc(CCCOCCCN2CCCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.61
SLC6A2 P23975 2/20 0.52
HRH1 P35367 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2C P18825 1/20 0.52
KCNH2 Q12809 1/20 0.52
CACNA1C Q13936 1/20 0.52
SCN5A Q14524 1/20 0.52
CHRM4 P08173 1/20 0.51
HTR2C P28335 1/20 0.51
HTR7 P34969 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 1/20 0.46
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL23350037 0.85 HRH3 (0.44) HRH3SLC6A2HRH1SLC6A4SLC6A3
SCHEMBL20128699 0.85 HRH3 (0.43) HRH3SLC6A2HRH1SLC6A4SLC6A3
SCHEMBL21664465 0.83 HRH3 (0.42) HRH3SIGMAR1
SCHEMBL24654227 0.83 CHRNB4 (0.42) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL20233625 0.80 HRH3 (0.70) HRH3SLC6A2HRH1SLC6A4SLC6A3
SCHEMBL5709087 0.78 HRH3 (0.71) HRH3SLC6A2HRH1SLC6A4SLC6A3
SCHEMBL491655 0.77 HRH3 (1.00) HRH3SLC6A2HRH1SLC6A4SLC6A3
SCHEMBL5708997 0.77 HRH3 (0.72) HRH3SIGMAR1KDM4EDRD2ALDH1A1
SCHEMBL6566705 0.76 HRH3 (0.80) HRH3SLC6A2HRH1SLC6A4SLC6A3
SCHEMBL24761870 0.76 CYP2D6 (0.37) CHRM2KDM4EALDH1A1

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-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2020-02-06 US disclosed
US-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2018-06-07 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-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE PTK2, CTTN, CRBN HRH3 3687/4885SLC6A2 4570/4885HRH1 3557/4885
US-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL HRH3 1946/4885SLC6A2 4566/4885HRH1 647/4885

“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.