SCHEMBL1019786

SCHEMBL1019786

Fc1ccc(C#Cc2ccc(OC3CN4CCC3CC4)nn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.44
GRM5 P41594 1/20 0.39
TRPC3 Q13507 1/20 0.37
CHRM2 P08172 4/20 0.36
CHRM1 P11229 4/20 0.36
CHRM3 P20309 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA4 P43681 3/20 0.36
LSS P48449 1/20 0.36

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
SCHEMBL1019441 0.90 CHRNA7 (0.46) CHRNA7CHRM2CHRM1LSS
SCHEMBL3080565 0.88 CHRNA7 (0.44) CHRNA7CHRM2CHRM1CHRM3CHRM4
SCHEMBL3065850 0.88 CHRNA7 (0.44) CHRNA7CHRM2CHRM1CHRM3CHRM4
SCHEMBL1018510 0.88 LSS (0.48) CHRNA7GRM5CHRM2CHRM1CHRM3
SCHEMBL1017804 0.88 CHRNA7 (0.44) CHRNA7CHRM2CHRM1CHRM3CHRM4
SCHEMBL3088178 0.88 CHRNA7 (0.46) CHRNA7GRM5CHRM2CHRM1CHRM3
SCHEMBL3084805 0.88 CHRNA7 (0.46) CHRNA7GRM5CHRM2CHRM1CHRM3
SCHEMBL1018721 0.88 CHRNA7 (0.46) CHRNA7GRM5CHRM2CHRM1CHRM3
SCHEMBL1018620 0.88 CHRNA7 (0.42) CHRNA7CHRM2CHRM1CHRM3CHRM4
SCHEMBL1019629 0.87 CHRNA7 (0.45) CHRNA7CHRM2CHRM1CHRM3CHRM4

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 10 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-7652010-B2 Azabicyclic aryl derivatives and their medical use NEUROSEARCH A/S (DK) 2010-01-26 US 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 CHRNA7 6/4885GRM5 265/4885TRPC3 232/4885

“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.