SCHEMBL1018531

SCHEMBL1018531

C(#Cc1ccc(OC2CN3CCC2CC3)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.52
CHRM2 P08172 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRNA7 P36544 3/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46

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
Fumaric Acid SCHEMBL1020193 0.90 LSS (0.53) LSSCHRM2CHRM1CHRM3CHRM4
SCHEMBL3218495 0.87 LSS (0.56) LSSCHRM2CHRM1CHRM3CHRM4
SCHEMBL3218491 0.87 LSS (0.56) LSSCHRM2CHRM1CHRM3CHRM4
SCHEMBL3218661 0.87 LSS (0.56) LSSCHRM2CHRM1CHRM3CHRM4
SCHEMBL1019927 0.87 LSS (0.51) LSSCHRM2CHRM1CHRNA7
SCHEMBL1018855 0.85 LSS (0.45) LSSCHRM2CHRM1CHRM3CHRNA7
SCHEMBL5403372 0.84 LSS (0.55) LSSCHRM2CHRM1CHRM3CHRM4
SCHEMBL5396813 0.84 LSS (0.55) LSSCHRM2CHRM1CHRM3CHRM4
SCHEMBL4204692 0.84 LSS (0.55) LSSCHRNA7
SCHEMBL5390767 0.84 LSS (0.55) LSSCHRM2CHRM1CHRM3CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802616-B1 NOVEL AZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2011-01-12 EP claimed
US-20070299082-A1 Novel Azabicyclic Aryl Derivatives and Their Medical Use ANIONA APS (DK) 2007-12-27 US claimed
EP-1802616-A1 NOVEL AZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-07-04 EP claimed
WO-2006040352-A1 NOVEL AZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-04-20 WO claimed
EP-1802616-B1 NOVEL AZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2011-01-12 EP disclosed
US-7652010-B2 Azabicyclic aryl derivatives and their medical use NEUROSEARCH A/S (DK) 2010-01-26 US disclosed
US-20070299082-A1 Novel Azabicyclic Aryl Derivatives and Their Medical Use ANIONA APS (DK) 2007-12-27 US disclosed
EP-1802616-A1 NOVEL AZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-07-04 EP disclosed
WO-2006040352-A1 NOVEL AZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-04-20 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-20070299082-A1 Novel Azabicyclic Aryl Derivatives and Their Medical Use CHRNA6, CHRNA10, CHRNA5 LSS 3370/4885CHRM2 19/4885CHRM1 39/4885

“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.