SCHEMBL3323822

SCHEMBL3323822

O=C(c1cc(Br)c(Br)o1)N1CCN2CCC1CC2

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.55
CHRNA3 P32297 5/20 0.48
CHRNA4 P43681 2/20 0.47
HTR3A P46098 1/20 0.43

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
SCHEMBL3325935 0.78 CHRNA7 (0.59) CHRNA7CHRNA3CHRNA4HTR3A
SCHEMBL373000 0.75 CHRNA7 (0.59) CHRNA7CHRNA3CHRNA4HTR3A
SCHEMBL6565318 0.74 CHRNA4 (0.48) CHRNA4
SCHEMBL4208891 0.74 CHRNA7 (0.61) CHRNA7CHRNA3HTR3A
Hydrochloric Acid SCHEMBL3327850 0.73 CHRNA7 (0.56) CHRNA7CHRNA3
SCHEMBL3328505 0.71 CHRNA7 (0.58) CHRNA7CHRNA3CHRNA4HTR3A
SCHEMBL3331680 0.71 CHRNA7 (1.00) CHRNA7HTR3A
SCHEMBL4702484 0.70 CHRNA7 (0.48) CHRNA7CHRNA3HTR3A
SCHEMBL3515852 0.70 CHRNA7 (0.48) CHRNA7CHRNA3HTR3A
SCHEMBL4032087 0.69 L3MBTL3 (0.58) CHRNA7CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US claimed
US-20060148789-A1 Novel diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2006-07-06 US claimed
US-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US disclosed
US-7678788-B2 Diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2010-03-16 US disclosed
EP-1599476-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH AS (DK) 2009-10-14 EP disclosed
US-20060148789-A1 Novel diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2006-07-06 US disclosed
EP-1599476-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-11-30 EP disclosed
WO-2004076453-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2004-09-10 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-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES CHRNA6, CHRNA10, CHRNA2 CHRNA7 6/4885CHRNA3 5/4885CHRNA4 7/4885
US-20060148789-A1 Novel diazabicyclic aryl derivatives CHRNA6, CHRNA10, CHRNA2 CHRNA7 6/4885CHRNA3 5/4885CHRNA4 7/4885

“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.