SCHEMBL3138256

SCHEMBL3138256

Cn1ccc2cc(C#CC3CC3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.49
CHRNA1 P02708 2/20 0.49
CHRNG P07510 2/20 0.49
CHRNB1 P11230 2/20 0.49
CHRNB2 P17787 2/20 0.49
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNA4 P43681 2/20 0.49
HTR3A P46098 2/20 0.49
CHRND Q07001 2/20 0.49
PRKCI P41743 1/20 0.45
CYP2A6 P11509 1/20 0.41
GSK3B P49841 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
HSD11B1 P28845 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35

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
SCHEMBL3147815 0.74 PRKCI (0.47) CHRNA7CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL1779268 0.73 PRKCI (0.53) CHRNA7PRKCICYP2A6HSD11B1PIK3CB
SCHEMBL20593945 0.71 PKM (0.45) CHRNA7CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL3133961 0.68 PRKCI (0.52) CHRNA7PRKCICYP2A6SLC6A2SLC6A4
SCHEMBL28070440 0.66 PRKCI (0.59) PRKCICYP2A6HSD11B1TUBB4ATUBB
SCHEMBL12704851 0.65 PRKCI (0.47) CHRNA7PRKCICYP2A6HSD11B1FAAH
SCHEMBL4457936 0.65 PRKCI (0.47) CHRNA7PRKCICYP2A6SLC6A2SLC6A4
SCHEMBL27914433 0.65 CYP2A6 (0.47) PRKCICYP2A6HSD11B1FAAH
SCHEMBL18683804 0.64 PRKCI (0.60) PRKCICYP2A6HSD11B1TUBB4ATUBB
SCHEMBL24093163 0.64 FFAR1 (0.47) CYP2A6SLC6A2SLC6A4SLC6A3FFAR1

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
EP-2125683-B1 3-BENZOFURANYL-4-INDOLYL-MALEIMIDES AS POTENT GSK-3 INHIBITORS FOR NEURODEGENERATIVE DISORDERS UNIV ILLINOIS (US) 2013-10-23 EP disclosed
US-8207216-B2 Benzofuran-3-yl(indol-3-yl) maleimides as potent GSK3 inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-06-26 US disclosed
US-20100004308-A1 Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, A BODY CORPORATE AND POLITIC OF THE STATE OF ILLINOIS 2010-01-07 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 (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-20100004308-A1 Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors GSK3B, GSK3A, GSKIP CHRNA7 1641/4885CHRNA1 1633/4885CHRNG 2309/4885

“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.