SCHEMBL4078437

SCHEMBL4078437

CCCC(=O)Nc1cccc(-c2ccc3c(c2)C(=O)N([C@H]2CN4CCC2CC4)C3)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.45
PTPN1 P18031 1/20 0.41
PTPRA P18433 1/20 0.41
KDM4E B2RXH2 2/20 0.40
F2R P25116 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HTR1A P08908 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTR7 P34969 1/20 0.39
GSPT1 P15170 1/20 0.39
CRBN Q96SW2 1/20 0.39
MAPT P10636 1/20 0.39
PTPRC P08575 2/20 0.39

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
SCHEMBL4078440 1.00 HTR3A (0.45) HTR3APTPN1PTPRAKDM4EF2R
SCHEMBL13765325 0.93 HTR3A (0.46) HTR3AKDM4EALDH1A1NPC1RAB9A
SCHEMBL4078119 0.88 HTR3A (0.48) HTR3A
SCHEMBL4078122 0.88 HTR3A (0.48) HTR3A
SCHEMBL13765321 0.79 HTR3A (0.52) HTR3A
SCHEMBL4079030 0.79 HTR3A (0.52) HTR3A
SCHEMBL4074319 0.78 HTR3A (0.51) HTR3A
SCHEMBL4079025 0.78 HTR3A (0.51) HTR3A
SCHEMBL4078104 0.74 HTR3A (0.45) HTR3AHTR1A
SCHEMBL4078100 0.74 HTR3A (0.45) HTR3AHTR1A

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-7566727-B2 2-(1-aza-bicyclo[2.2.2]oct-3-yl)-2,3-dihydro-isoindole-1-one/5,6-dihydro-furo[2,3-c] pyrrol-4-one derivative ligands for alpha 7 nicotinic acetylcholine receptor ASTRAZENECA AB 2009-07-28 US disclosed
US-20070213342-A1 Novel 2-(1-Aza-Bicyclo[2.2.2.]Oct-3-Yl)-2,3-Dihydro-Isoindole-1-One/5,6-Dihydro-Furo[2,3-C] Pyrrol-4-One Derivative Ligands For Alpha 7 Nicotinic Acetylcholine Receptor ASTRAZENECA AB (SE) 2007-09-13 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-20070213342-A1 Novel 2-(1-Aza-Bicyclo[2.2.2.]Oct-3-Yl)-2,3-Dihydro-Isoindole-1-One/5,6-Dihydro-Furo[2,3-C] Pyrrol-4-One Derivative Ligands For Alpha 7 Nicotinic Acetylcholine Receptor CHRNA1, CHRNA7, CHRNE HTR3A 68/4885PTPN1 2488/4885PTPRA 2609/4885

“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.