SCHEMBL21436166

SCHEMBL21436166

CC(C)CCCN1c2ccccc2Sc2ccc(Cl)c(O)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.44
CYP2C19 P33261 5/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
HTR1A P08908 5/20 0.43
CYP1A2 P05177 4/20 0.43
DRD2 P14416 4/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CHRM2 P08172 4/20 0.43
ADRA2A P08913 4/20 0.43
CHRM1 P11229 4/20 0.43
DRD1 P21728 4/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
ADRA1A P35348 4/20 0.43
OPRM1 P35372 4/20 0.43
DRD3 P35462 4/20 0.43
KCNH2 Q12809 4/20 0.43

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
SCHEMBL4780685 0.86 KDM1A (0.50) CYP2D6CYP2C19HTR1ACYP1A2DRD2
SCHEMBL4778428 0.85 PDF (0.47) CYP2D6CYP2C19HTR1ACYP1A2DRD2
SCHEMBL6863955 0.84 CYP2D6 (0.44) CYP2D6CYP2C19HTR1ACYP1A2DRD2
SCHEMBL4780730 0.84 CYP2D6 (0.45) CYP2D6CYP2C19PTGS1PTGS2HTR1A
SCHEMBL7585294 0.83 CYP2D6 (0.65) CYP2D6CYP2C19HTR1ACYP1A2DRD2
SCHEMBL21436165 0.83 PIM1 (0.46) CYP2D6CYP2C19HTR1ACYP1A2DRD2
SCHEMBL4238190 0.81 KDM1A (0.67) CYP2D6CYP2C19PTGS1HTR1ACYP1A2
SCHEMBL4783514 0.79 KDM1A (0.45) CYP2D6CYP2C19HTR1ACYP1A2DRD2
SCHEMBL21977447 0.78 LMNA (0.69) CYP2D6CYP2C19HTR1ACYP1A2DRD2
SCHEMBL15423268 0.76 PIM1 (0.63) CYP2D6CYP2C19PTGS1PTGS2HTR1A

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-20230002335-A1 SMALL MOLECULE ENHANCEMENT OF 20S PROTEASOME ACTIVITY TARGETS INTRINSICALLY DISORDERED PROTEINS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2023-01-05 US disclosed
WO-2018226589-A9 SMALL MOLECULE PROTEOSOME ACTIVATORS AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2019-10-10 WO 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 (1 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-20230002335-A1 SMALL MOLECULE ENHANCEMENT OF 20S PROTEASOME ACTIVITY TARGETS INTRINSICALLY DISORDERED PROTEINS PSMG3, PSME3, PSME1 CYP2D6 3919/4885CYP2C19 4626/4885PTGS1 3937/4885

“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.