SCHEMBL5354493

SCHEMBL5354493

c1cc(-c2ccc(N3C[C@@H]4C[C@H]3CN4)nn2)cs1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.45
CSNK1E P49674 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40

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
SCHEMBL6624686 0.84 CHRNA7 (0.61) CHRNA7CSNK1E
SCHEMBL454539 0.84 CHRNA7 (0.61) CHRNA7CSNK1E
SCHEMBL5345627 0.84 CHRNB2 (0.47) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5353963 0.82 CHRNB2 (0.45) CSNK1ECHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5355007 0.77 CHRNA7 (0.69) CHRNA7
SCHEMBL20038439 0.73 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18291726 0.73 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18291307 0.73 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6625406 0.73 CHRNB2 (0.61) CHRNB2CHRNA4
SCHEMBL5034127 0.73 CHRNB2 (0.61) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300933-B2 Diazabicyclic biaryl derivatives NEUROSEARCH A/S (DK) 2007-11-27 US claimed
EP-1506200-B1 DIAZABICYCLIC BIARYL DERIVATIVES NEUROSEARCH AS (DK) 2006-12-20 EP claimed
JP-2005524713-A 2005-08-18 JP claimed
US-20050131236-A1 Novel diazabicyclic biaryl derivatives ANIONA APS (DK) 2005-06-16 US claimed
EP-1506200-A2 NOVEL DIAZABICYCLIC BIARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-02-16 EP claimed
WO-2003094831-A2 NOVEL DIAZABICYCLIC BIARYL DERIVATIVES NEUROSEARCH A/S (DK) 2003-11-20 WO claimed
US-7300933-B2 Diazabicyclic biaryl derivatives NEUROSEARCH A/S (DK) 2007-11-27 US disclosed
EP-1506200-B1 DIAZABICYCLIC BIARYL DERIVATIVES NEUROSEARCH AS (DK) 2006-12-20 EP disclosed
US-20050131236-A1 Novel diazabicyclic biaryl derivatives ANIONA APS (DK) 2005-06-16 US disclosed
EP-1506200-A2 NOVEL DIAZABICYCLIC BIARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-02-16 EP disclosed
WO-2003094831-A2 NOVEL DIAZABICYCLIC BIARYL DERIVATIVES NEUROSEARCH A/S (DK) 2003-11-20 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 (1 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-20050131236-A1 Novel diazabicyclic biaryl derivatives CHRNA6, CHRNA3, CHRNA2 CHRNA7 5/4885CSNK1E 2873/4885CHRNB2 9/4885

“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.