SCHEMBL4207672

SCHEMBL4207672

O=C(NC1CN2CCC1CC2)c1ccc(Br)o1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.61
ALDH1A1 P00352 2/20 0.58
POLB P06746 1/20 0.58
HPGD P15428 1/20 0.56
TSHR P16473 2/20 0.55
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
ALOX15 P16050 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL4207670 1.00 CHRNA7 (0.61) CHRNA7ALDH1A1POLBHPGDTSHR
Hydrochloric Acid SCHEMBL4221906 0.99 CHRNA7 (0.60) CHRNA7ALDH1A1POLBHPGDTSHR
Hydrochloric Acid SCHEMBL4221903 0.99 CHRNA7 (0.60) CHRNA7ALDH1A1POLBHPGDTSHR
SCHEMBL6490623 0.95 HPGD (0.56) CHRNA7ALDH1A1POLBHPGDTSHR
SCHEMBL7221024 0.87 POLB (0.50) CHRNA7ALDH1A1POLBHPGDMEN1
SCHEMBL7061196 0.83 ALDH1A1 (0.73) CHRNA7ALDH1A1POLBHPGDTSHR
SCHEMBL7059181 0.81 CHRNA7 (0.61) CHRNA7ALDH1A1POLBHTR3A
SCHEMBL7218072 0.81 CHRNA7 (0.56) CHRNA7ALDH1A1POLBTSHRHTR3E
SCHEMBL6489819 0.80 MEN1 (0.49) CHRNA7ALDH1A1POLBHPGDTSHR
SCHEMBL7062005 0.80 ALDH1A1 (0.54) CHRNA7ALDH1A1POLBTSHRHTR3E

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 302/4885ALDH1A1 83/4885POLB 3653/4885
US-20070149563-A1 New Compounds DRD1, DRD2, GRIN2A CHRNA7 145/4885ALDH1A1 137/4885POLB 3912/4885
US-20030008867-A1 Compounds DRD2, DRD1, GRIN2A CHRNA7 209/4885ALDH1A1 75/4885POLB 3437/4885

“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.