SCHEMBL4487058

SCHEMBL4487058

CCC(C)C1CNCCN1C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 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
SCHEMBL4487051 1.00 TDP1 (0.48) TDP1ATMNPSR1MEN1POLB
SCHEMBL25625983 0.89 TDP1 (0.43) TDP1ATMNPSR1
SCHEMBL14111345 0.79 TDP1 (0.36) TDP1
SCHEMBL1189704 0.79 TDP1 (0.36) TDP1
SCHEMBL2918217 0.79 TDP1 (0.36) TDP1
SCHEMBL8692588 0.79 TDP1 (0.35) TDP1
SCHEMBL28230049 0.79 TDP1 (0.35) TDP1
SCHEMBL14380343 0.79 TDP1 (0.44) TDP1ATM
SCHEMBL510995 0.78 TDP1 (0.49) TDP1ATM
Hydrochloric Acid SCHEMBL27848081 0.78 TDP1 (0.35) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298835-A1 NOVEL SCAFFOLDS FOR ALPHA-HELIX MIMICRY THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-03 US disclosed
US-7579350-B2 5-Isobutyl-6-4-isopropyl-4,5-dihydro-oxazol-2-yl)-pyridazin-3-yl]-piperidin-1-yl-methanone; mimetics of functionalized pyridazine derivatives having low molecular weight; alpha-helical binding ligands of natural receptors such as those of the peptide galanin or the protein Bcl THE SCRIPPS RESEARCH INSTITUTE (US) 2009-08-25 US disclosed
US-20060205728-A1 Novel scaffolds for beta-helix mimicry THE SCRIPPS RESEARCH INSTITUTE (US) 2006-09-14 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-20060205728-A1 Novel scaffolds for beta-helix mimicry HRH1, HEATR1, HSPH1 TDP1 3643/4885ATM 4333/4885NPSR1 481/4885
US-20090298835-A1 NOVEL SCAFFOLDS FOR ALPHA-HELIX MIMICRY HRH1, HEATR1, PLEKHA1 TDP1 3392/4885ATM 4173/4885NPSR1 417/4885

“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.