SCHEMBL917520

SCHEMBL917520

Nc1ccc2c(c1)CC1CCCC2C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.39
CHRNA4 P43681 13/20 0.39
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39
CHRNA7 P36544 3/20 0.39
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
BRD4 O60885 1/20 0.30
ATAD2 Q6PL18 1/20 0.30

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
SCHEMBL7858368 0.80 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2914386 0.76 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6545918 0.75 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL2916099 0.74 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3HTR1D
SCHEMBL20963039 0.74 PSEN1 (0.38) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL20963063 0.74 PSEN1 (0.38) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL11699947 0.72 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL11703659 0.70 CHRNB2 (0.54) CHRNB2CHRNA4
SCHEMBL11703811 0.70 CHRNB2 (0.54) CHRNB2CHRNA4
SCHEMBL7291366 0.70 CHRNB2 (0.35) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003802-A1 Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-7345056-B2 Bridged N-cyclic sulfonamido inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2008-03-18 US disclosed
US-20070049612-A1 Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2007-03-01 US 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 (2 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-20110003802-A1 Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 CHRNB2 124/4885CHRNA4 261/4885CHRNB4 262/4885
US-20070049612-A1 Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 CHRNB2 124/4885CHRNA4 261/4885CHRNB4 262/4885

“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.