SCHEMBL2993174

SCHEMBL2993174

CCCCC(=O)C1CC2CNCC2C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.47
CHRNA4 P43681 7/20 0.47
CHRNA7 P36544 6/20 0.47
CHRNB4 P30926 6/20 0.47
CHRNA3 P32297 6/20 0.47
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
CES1 P23141 2/20 0.37
CES2 O00748 1/20 0.37
GNAI3 P08754 4/20 0.35
GNAO1 P09471 4/20 0.35
GNAI1 P63096 4/20 0.35
EPHX2 P34913 1/20 0.33
CA1 P00915 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2993176 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL9906269 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2988499 0.89 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2992146 0.84 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL21640643 0.82 LMNA (0.43) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2978297 0.80 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL15492755 0.76 ALDH1A1 (0.44) LMNAALDH1A1TP53ABL1RIN1
SCHEMBL6141333 0.73
SCHEMBL2984789 0.72 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2988100 0.72 CHRNB2 (0.52) 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.