SCHEMBL3390808

SCHEMBL3390808

CN1C2CCC1CN(c1ccc(-c3ccc(Cl)cc3)nn1)C2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.50
HTR3A P46098 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
ACACB O00763 1/20 0.48
MAPT P10636 1/20 0.44
SCD O00767 5/20 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
SCHEMBL2677317 0.95 ACACB (0.49) CHRNA7HTR3ACHRNB4CHRNA3ACACB
SCHEMBL3394101 0.86 SCD (0.50) CHRNA7HTR3ACHRNB4CHRNA3SCD
SCHEMBL928191 0.86 CHRNA7 (0.68) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL3391986 0.84 CHRNA7 (0.49) CHRNA7HTR3ACHRNB4CHRNA3SCD
SCHEMBL3390767 0.84 CHRNA7 (0.48) CHRNA7HTR3ACHRNB4CHRNA3MAPT
SCHEMBL2678166 0.81 SCD (0.48) CHRNA7HTR3ACHRNB4CHRNA3SCD
SCHEMBL1449402 0.81 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL2676639 0.81 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL2677962 0.80 CHRNA7 (0.47) CHRNA7HTR3ACHRNB4CHRNA3SCD
SCHEMBL1449412 0.79 CHRNA7 (0.46) CHRNA7HTR3ACHRNB4CHRNA3MAPT

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
EP-1805183-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-12-29 EP claimed
US-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use NEUROSEARCH A/S (DK) 2008-06-26 US claimed
EP-1805183-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-07-11 EP claimed
WO-2006045716-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-05-04 WO claimed
EP-1805183-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-12-29 EP disclosed
US-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use NEUROSEARCH A/S (DK) 2008-06-26 US disclosed
EP-1805183-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-07-11 EP disclosed
WO-2006045716-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-05-04 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-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use CHRNA6, CHRNA10, CHRNA2 CHRNA7 6/4885HTR3A 117/4885CHRNB4 10/4885

“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.