SCHEMBL4201705

SCHEMBL4201705

O=C(NC1CN2CCC1CC2)c1ccc(Br)s1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 17/20 0.67
HTR3E A5X5Y0 6/20 0.67
HTR3B O95264 6/20 0.67
HTR3A P46098 6/20 0.67
HTR3D Q70Z44 6/20 0.67
HTR3C Q8WXA8 6/20 0.67
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL4201701 1.00 CHRNA7 (0.67) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4213700 1.00 CHRNA7 (0.67) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6806920 1.00 CHRNA7 (0.67) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6496203 0.93 CHRNA7 (0.59) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6491465 0.93 CHRNA7 (0.59) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL2819828 0.87 CHRNA7 (0.52) CHRNA7HTR3EHTR3BHTR3AHTR3D
Fumaric Acid SCHEMBL6491257 0.87 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
Fumaric Acid SCHEMBL6485493 0.87 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7061832 0.84 CHRNA7 (0.66) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7063783 0.84 CHRNA7 (0.69) CHRNA7HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259508-B1 NOVEL BIARYLCARBOXAMIDES ASTRAZENECA AB (SE) 2003-10-15 EP claimed
US-20030008867-A1 Compounds ASTRAZENECA AB (SE) 2003-01-09 US claimed
EP-1259508-A1 NOVEL BIARYLCARBOXAMIDES AstraZeneca AB (SE) 2002-11-27 EP claimed
WO-2001060821-A1 NOVEL BIARYLCARBOXAMIDES ASTRAZENECA AB (SE) 2001-08-23 WO claimed
US-7491734-B2 2-(pyridine-4-yl)-N-(quinuclidin-2-yl)thiazole-4-carboxide nicotinic acetylcholine receptor ligands ASTRAZENECA AB (SE) 2009-02-17 US disclosed
US-20070149563-A1 New Compounds PHILLIPS EIFION 2007-06-28 US disclosed
US-7214688-B2 Compounds ASTRAZENECA AB (SE) 2007-05-08 US disclosed
US-20060128749-A1 Compounds PHILLIPS EIFION 2006-06-15 US disclosed
US-7001914-B2 Compounds ASTRAZENECA AB (SE) 2006-02-21 US disclosed
EP-1259508-B1 NOVEL BIARYLCARBOXAMIDES ASTRAZENECA AB (SE) 2003-10-15 EP disclosed
US-20030008867-A1 Compounds ASTRAZENECA AB (SE) 2003-01-09 US disclosed
EP-1259508-A1 NOVEL BIARYLCARBOXAMIDES AstraZeneca AB (SE) 2002-11-27 EP disclosed
WO-2001060821-A1 NOVEL BIARYLCARBOXAMIDES ASTRAZENECA AB (SE) 2001-08-23 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 (3 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-20060128749-A1 Compounds DRD2, DRD1, GRIN2A CHRNA7 302/4885HTR3E 601/4885HTR3B 753/4885
US-20070149563-A1 New Compounds DRD1, DRD2, GRIN2A CHRNA7 145/4885HTR3E 569/4885HTR3B 682/4885
US-20030008867-A1 Compounds DRD2, DRD1, GRIN2A CHRNA7 209/4885HTR3E 350/4885HTR3B 441/4885

“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.