SCHEMBL30596603

SCHEMBL30596603

C1CCN(CCCN2CCOCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
KEAP1 Q14145 1/20 0.60
HRH3 Q9Y5N1 9/20 0.59
HPGD P15428 1/20 0.48
DUSP3 P51452 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 1/20 0.45
EPHX1 P07099 1/20 0.44
GAA P10253 1/20 0.44
GLA P06280 1/20 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
SCHEMBL4042395 0.97 KEAP1 (0.62) SMN1; SMN2KEAP1HRH3HPGDDUSP3
SCHEMBL22048302 0.93 HRH3 (0.71) SMN1; SMN2KEAP1HRH3HPGDDUSP3
SCHEMBL17377315 0.92 KEAP1 (0.62) SMN1; SMN2KEAP1HRH3HPGDDUSP3
SCHEMBL12937 0.92 ALDH1A1 (0.54) SMN1; SMN2KEAP1HRH3HPGDDUSP3
SCHEMBL1998867 0.89 KEAP1 (0.71) SMN1; SMN2KEAP1HRH3HPGDDUSP3
SCHEMBL13019 0.89 KDM4E (0.56) SMN1; SMN2KEAP1HRH3HPGDDUSP3
Ammonia Solution, Strong SCHEMBL9400430 0.87 KEAP1 (0.68) SMN1; SMN2KEAP1HRH3HPGDDUSP3
SCHEMBL11222517 0.87 KEAP1 (0.68) SMN1; SMN2KEAP1HRH3HPGDDUSP3
SCHEMBL13334891 0.85 KEAP1 (0.48) SMN1; SMN2KEAP1HRH3HPGDDUSP3
SCHEMBL28116939 0.85 KDM4E (0.55) SMN1; SMN2KEAP1HRH3HPGDDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321067-A1 DOSING REGIMEN COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2023-10-12 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 (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-20230321067-A1 DOSING REGIMEN COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 SMN1; SMN2 755/4885KEAP1 148/4885HRH3 4828/4885

“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.