SCHEMBL2853822

SCHEMBL2853822

COc1cccc2c(C(=O)O[C@H]3CN4CCC3CC4)n[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
TSHR P16473 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GLA P06280 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CHRM2 P08172 3/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL2853826 1.00 CHRNA7 (0.47) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
Formic Acid SCHEMBL2861441 0.96 CHRNA7 (0.44) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL2854394 0.87 CHRNA7 (0.45) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL2854392 0.87 CHRNA7 (0.45) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
Formic Acid SCHEMBL2853322 0.83 CHRNA7 (0.42) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL1971642 0.80 CHRNA7 (0.65) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL492338 0.80 CHRNA7 (0.65) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL13528904 0.78 GSK3B (0.52) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL2851300 0.78 CHRNA7 (0.47) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL2854175 0.78 GSK3B (0.52) CHRNA7HTR3EHTR3BCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828179-B1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AGAINST CNS-RELATED DISEASES MEMORY PHARM CORP (US) 2010-01-20 EP claimed
US-7625924-B2 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-01 US claimed
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2006-07-27 US claimed
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
US-20100016351-A1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF NGUYEN TRUC MINH 2010-01-21 US disclosed
US-20100016351-A1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF NGUYEN TRUC MINH 2010-01-21 US disclosed
US-20100016351-A1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF NGUYEN TRUC MINH 2010-01-21 US disclosed
EP-1828179-B1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AGAINST CNS-RELATED DISEASES MEMORY PHARM CORP (US) 2010-01-20 EP disclosed
EP-1828179-B1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AGAINST CNS-RELATED DISEASES MEMORY PHARM CORP (US) 2010-01-20 EP disclosed
US-7625924-B2 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-01 US disclosed
US-7625924-B2 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-01 US disclosed
US-7625924-B2 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-01 US disclosed
EP-1828179-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF Memory Pharmaceutical Corporation (US) 2007-09-05 EP disclosed
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2006-07-27 US disclosed
WO-2006069097-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2006-06-29 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-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof CHRNA7, CHRNA5, CHRNA6 CHRNA7 1/4885HTR3E 628/4885HTR3B 259/4885
US-20100016351-A1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA6 CHRNA7 1/4885HTR3E 628/4885HTR3B 259/4885

“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.