SCHEMBL4572647

SCHEMBL4572647

CC(=O)C1=CCCCN1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
THRB P10828 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
BLM P54132 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30

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
SCHEMBL13182376 0.87
SCHEMBL4572656 0.79 CHRNB2 (0.32) CHRNB2CHRNA4
SCHEMBL4572657 0.77 CHRNB2 (0.38) CHRNB2CHRNA4LMNACHRM2CHRM4
SCHEMBL4572645 0.76 FFAR1 (0.36) CHRNB2CHRNA4LMNATHRBALDH1A1
SCHEMBL12283650 0.70
SCHEMBL22563213 0.69
Oxalic Acid SCHEMBL9559839 0.69 CHRNB2 (0.37) CHRNB2CHRNA4LMNACHRM2CHRM4
SCHEMBL7837916 0.66 INMT (0.33) BRD4BRD2
SCHEMBL7831654 0.66
SCHEMBL13947189 0.65 CHRNB2 (0.37) CHRNB2CHRNA4LMNACHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445874-B1 PROCESS OF PREPARATION OF 2-ACETYL-1-PYRROLINE AND A STABLE PRECURSOR THEREOF, ISOTOPICALLY LABELLED OR NOT CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-11-29 EP disclosed
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
US-20120100274-A1 METHOD FOR SYNTHESISING 2-ACETYL-1-PYRROLINE AND THE STABLE PRECURSOR THEREOF, OPTIONALLY ISOTOPICALLY MARKED UNIVERSITE DE MONTPELLIER (FR) 2012-04-26 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 (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-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 CHRNB2 476/4885CHRNA4 615/4885BRD4 2425/4885
US-20120100274-A1 METHOD FOR SYNTHESISING 2-ACETYL-1-PYRROLINE AND THE STABLE PRECURSOR THEREOF, OPTIONALLY ISOTOPICALLY MARKED SAT1, PDHA1, PTMS CHRNB2 1454/4885CHRNA4 1215/4885BRD4 428/4885

“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.