SCHEMBL5635488

SCHEMBL5635488

CN1C2CCC1CC(Sc1ccc3[nH]ccc3c1)C2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.40
KCNH2 Q12809 4/20 0.40
HTR6 P50406 2/20 0.38
AHR P35869 3/20 0.36
NR4A2 P43354 2/20 0.36
CYP2A6 P11509 1/20 0.36
F7 P08709 1/20 0.36
LTA4H P09960 1/20 0.36
F3 P13726 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
RAD51 Q06609 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
F2 P00734 1/20 0.35
PDE8B O95263 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
SCHEMBL14573406 1.00 CHRNA7 (0.40) CHRNA7KCNH2HTR6AHRNR4A2
SCHEMBL6576897 0.80 CA12 (0.43)
SCHEMBL5636643 0.80 CA12 (0.43)
SCHEMBL14573411 0.80 CA12 (0.43)
SCHEMBL14573404 0.78 CHRNA7 (0.42) CHRNA7KCNH2GAASLC6A2SLC6A4
SCHEMBL5634863 0.78 CHRNA7 (0.42) CHRNA7KCNH2GAASLC6A2SLC6A4
SCHEMBL14573412 0.77 POLB (0.38) KCNH2SLC6A2SLC6A3
SCHEMBL5636834 0.77 POLB (0.38) KCNH2SLC6A2SLC6A3
SCHEMBL14573437 0.76 CA12 (0.41)
SCHEMBL1177376 0.75 SLC6A2 (0.54) CHRNA7HTR6LTA4HSLC6A2SLC6A3

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-20070054912-A1 Modulators of acetylcholine receptors ASTLES PETER C 2007-03-08 US disclosed
US-7148236-B2 Modulators of acetylcholine receptors MERCK & CO., INC. (US) 2006-12-12 US disclosed
US-20050182088-A1 Modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-08-18 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-20050182088-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 CHRNA7 18/4885KCNH2 518/4885HTR6 176/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 CHRNA7 7/4885KCNH2 655/4885HTR6 208/4885

“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.