SCHEMBL5636307

SCHEMBL5636307

CN1C2CCC1CC(Sc1ccc(N)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.40
SLC6A3 Q01959 5/20 0.40
SLC6A4 P31645 4/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
HTR6 P50406 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5636304 1.00 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4DDB1CRBN
SCHEMBL7940689 0.83 CHRM1 (0.50) SLC6A2SLC6A3SLC6A4HTR6
SCHEMBL7940536 0.83 SLC6A3 (0.50) SLC6A2SLC6A3SLC6A4
SCHEMBL5634904 0.82 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4HTR6
SCHEMBL5634899 0.82 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4HTR6
SCHEMBL5635602 0.81 OPRK1 (0.43) SLC6A2SLC6A3SLC6A4HTR6
SCHEMBL5635606 0.81 OPRK1 (0.43) SLC6A2SLC6A3SLC6A4HTR6
SCHEMBL5636868 0.80 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4HTR6
SCHEMBL5635722 0.80 SLC6A3 (0.47) SLC6A2SLC6A3SLC6A4DDB1CRBN
SCHEMBL14573386 0.80 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4HTR6

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 71/4885SLC6A4 153/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 SLC6A2 232/4885SLC6A3 284/4885SLC6A4 372/4885

“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.