SCHEMBL5636183

SCHEMBL5636183

CN1[C@@H]2CC[C@H]1C[C@H](Sc1ccccc1Cl)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.41
SLC6A3 Q01959 3/20 0.41
CHRNA7 P36544 1/20 0.41
CHRM1 P11229 5/20 0.40
SLC6A4 P31645 4/20 0.40
DRD3 P35462 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
DRD2 P14416 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
DRD4 P21917 1/20 0.40
HTT P42858 1/20 0.40
GMNN O75496 1/20 0.40

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
SCHEMBL5636187 1.00 SLC6A2 (0.41) SLC6A2SLC6A3CHRNA7CHRM1SLC6A4
SCHEMBL5636317 0.80 SLC6A2 (0.39) SLC6A2SLC6A3CHRM1SLC6A4DRD3
SCHEMBL14573385 0.79 CHRM1 (0.38) SLC6A2SLC6A3CHRM1SLC6A4DRD3
SCHEMBL14573390 0.79 PDE7A (0.41) SLC6A2SLC6A3CHRM1SLC6A4DRD3
SCHEMBL5635580 0.79 CHRM1 (0.38) SLC6A2SLC6A3CHRM1SLC6A4DRD3
SCHEMBL14573396 0.79 CHRM1 (0.38) SLC6A2SLC6A3CHRM1SLC6A4DRD3
SCHEMBL5664764 0.79 PDE7A (0.41) SLC6A2SLC6A3CHRM1SLC6A4DRD3
SCHEMBL5634922 0.77 SLC6A2 (0.39) SLC6A2SLC6A3CHRM1SLC6A4DRD3
SCHEMBL2657669 0.77 LMNA (0.39) MEN1KMT2ATP53CYP1A2TSHR
SCHEMBL5634899 0.76 SLC6A2 (0.50) SLC6A2SLC6A3CHRNA7CHRM1SLC6A4

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 5 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
EP-1472248-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-11-03 EP disclosed
WO-2003062235-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 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 (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 SLC6A2 46/4885SLC6A3 71/4885CHRNA7 18/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 SLC6A2 232/4885SLC6A3 284/4885CHRNA7 7/4885

“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.