SCHEMBL2997170

SCHEMBL2997170

O=C(OC1CCCCC1)C1CC2CNCC2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.56
CHRNA4 P43681 7/20 0.56
CHRNA7 P36544 5/20 0.56
CHRNB4 P30926 5/20 0.56
CHRNA3 P32297 5/20 0.56
EPHX1 P07099 2/20 0.41
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
CYP2C19 P33261 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MMP9 P14780 2/20 0.34
MMP12 P39900 2/20 0.34
NAAA Q02083 1/20 0.34

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
SCHEMBL2991857 0.98 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL9906294 0.98 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL9906293 0.94 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2984452 0.94 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL1298015 0.84 EPHX1 (0.47) EPHX1CHRM2CHRM4CHRM1CHRM3
SCHEMBL2978095 0.82 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL9906285 0.82 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL28063291 0.78 SLC6A1 (0.41) EPHX1CHRM2CHRM4CHRM1CHRM3
SCHEMBL9906287 0.78 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2984602 0.78 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139857-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES Targacept Inc. (US) 2010-01-06 EP claimed
WO-2008121686-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2008-10-09 WO claimed
US-8198296-B2 Sub-type selective azabicycloalkane derivatives TARGACEPT, INC. (US) 2012-06-12 US disclosed
US-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2010-07-08 US disclosed
EP-2139857-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES Targacept Inc. (US) 2010-01-06 EP disclosed
WO-2008121686-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2008-10-09 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-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES CHRNB2, CHRNB4, CHRNA4 CHRNB2 1/4885CHRNA4 3/4885CHRNA7 8/4885

“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.