SCHEMBL2853772

SCHEMBL2853772

O=C(O[C@@H]1CN2CCC1CC2)c1n[nH]c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.45
HTR3A P46098 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
GLA P06280 1/20 0.42
TSHR P16473 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TRPA1 O75762 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRM4 P08173 1/20 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
SCHEMBL13528907 1.00 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BCHRNB2
SCHEMBL2854181 1.00 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BCHRNB2
SCHEMBL2854411 1.00 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BCHRNB2
Formic Acid SCHEMBL2851406 0.96 CHRNA7 (0.42) CHRNA7HTR3AHTR3EHTR3BCHRNB2
Formic Acid SCHEMBL2857775 0.96 CHRNA7 (0.42) CHRNA7HTR3AHTR3EHTR3BCHRNB2
SCHEMBL2851626 0.92 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BCHRNB2
SCHEMBL2853932 0.92 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BCHRNB2
SCHEMBL2851624 0.92 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BCHRNB2
SCHEMBL2851370 0.90 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BCHRNB2
SCHEMBL2851368 0.90 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BCHRNB2

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 10 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
EP-1828179-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF Memory Pharmaceutical Corporation (US) 2007-09-05 EP claimed
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2006-07-27 US claimed
WO-2006069097-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2006-06-29 WO claimed
US-7652009-B2 Substituted heterocycles and methods of use AMGEM INC. (US) 2010-01-26 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
US-7625924-B2 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-01 US disclosed
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2006-07-27 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-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof CHRNA7, CHRNA5, CHRNA6 CHRNA7 1/4885HTR3A 352/4885HTR3E 628/4885
US-20100016351-A1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA6 CHRNA7 1/4885HTR3A 352/4885HTR3E 628/4885

“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.