SCHEMBL6203781

SCHEMBL6203781

C=CCN1CC2CC(C1)CN(c1ccc(-c3ccccc3)nn1)C2

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.51
HTR3A P46098 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51

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
SCHEMBL928049 0.88 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL6202179 0.82 CHRNA7 (0.65) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL6201547 0.79 CHRNA7 (0.74) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL2677050 0.78 CHRNA7 (0.51) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL1793402 0.74 CHRNA7 (0.50) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL19489190 0.74 CHRNA7 (0.70) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL929426 0.73 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL928022 0.73 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL928020 0.73 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL928912 0.70 CHRNA7 (0.72) CHRNA7HTR3ACHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147505-A1 Novel heteroaryl-diazabicyclo alkanes as cns-modulators NEUROSEARCH A/S (DK) 2004-07-29 US claimed
EP-1397365-A1 NOVEL HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NeuroSearch A/S (DK) 2004-03-17 EP claimed
WO-2002096911-A1 NOVEL HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NEUROSEARCH A/S (DK) 2002-12-05 WO claimed
EP-1397365-B1 HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NEUROSEARCH AS (DK) 2005-02-16 EP disclosed
US-20040147505-A1 Novel heteroaryl-diazabicyclo alkanes as cns-modulators NEUROSEARCH A/S (DK) 2004-07-29 US disclosed
EP-1397365-A1 NOVEL HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NeuroSearch A/S (DK) 2004-03-17 EP disclosed
WO-2002096911-A1 NOVEL HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NEUROSEARCH A/S (DK) 2002-12-05 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-20040147505-A1 Novel heteroaryl-diazabicyclo alkanes as cns-modulators CHRNA3, CHRNA5, CHRNA2 CHRNA7 5/4885HTR3A 89/4885CHRNB4 11/4885

“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.