SCHEMBL4572645

SCHEMBL4572645

CC(C)CC(=O)C1=CCCCN1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
TP53 P04637 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 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
SCHEMBL4572656 0.79 CHRNB2 (0.32) CHRNB2CHRNA4
SCHEMBL4572657 0.77 CHRNB2 (0.38) SMN1; SMN2CHRNB2CHRNA4TP53HRH2
SCHEMBL4572647 0.76 CHRNB2 (0.34) SMN1; SMN2CHRNB2CHRNA4ALDH1A1LMNA
SCHEMBL8404353 0.68 CHRNB2 (0.55) SMN1; SMN2GAACHRNB2CHRNA4ALDH1A1
SCHEMBL13947189 0.67 CHRNB2 (0.37) FFAR1CHRNB2CHRNA4LMNATHRB
SCHEMBL13182376 0.63
SCHEMBL12283650 0.63
Methylpyrrolidone SCHEMBL29218350 0.63 BRD4 (0.61) SMN1; SMN2TP53LMNATSHR
Oxalic Acid SCHEMBL9559839 0.63 CHRNB2 (0.37) CHRNB2CHRNA4TDP1ALDH1A1LMNA
Methyl Isobutyl Ketone SCHEMBL28163688 0.62 BRD4 (0.59) SMN1; SMN2TP53TDP1ALDH1A1LMNA

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-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-11-14 US disclosed
US-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-11-14 US disclosed
WO-2012054527-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 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-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 FFAR1 51/4885SMN1; SMN2 2361/4885GAA 2044/4885

“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.