SCHEMBL5635580

SCHEMBL5635580

CN1C2CCC1CC(Sc1ccc(O)cc1Cl)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
CYP2D6 P10635 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
GMNN O75496 1/20 0.35
HTR3B O95264 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MTOR P42345 1/20 0.35
HTR3A P46098 1/20 0.35
PMP22 Q01453 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
MAPT P10636 1/20 0.35
DRD3 P35462 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
SCHEMBL14573385 1.00 CHRM1 (0.38) CHRM1SLC6A2SLC6A4CYP2D6HSD17B10
SCHEMBL14573396 1.00 CHRM1 (0.38) CHRM1SLC6A2SLC6A4CYP2D6HSD17B10
SCHEMBL5637497 0.84 LMNA (0.34) SLC6A2SLC6A4CYP2D6MEN1KMT2A
SCHEMBL14573379 0.84 LMNA (0.34) SLC6A2SLC6A4CYP2D6MEN1KMT2A
SCHEMBL5636317 0.84 SLC6A2 (0.39) CHRM1SLC6A2SLC6A4CYP2D6CYP1A2
SCHEMBL5664764 0.83 PDE7A (0.41) CHRM1SLC6A2SLC6A4TSHRMAPT
SCHEMBL5636504 0.83 SLC6A2 (0.38) CHRM1SLC6A2SLC6A4CYP2D6HTR3E
SCHEMBL14573368 0.83 SLC6A2 (0.38) CHRM1SLC6A2SLC6A4CYP2D6HTR3E
SCHEMBL14573390 0.83 PDE7A (0.41) CHRM1SLC6A2SLC6A4TSHRMAPT
SCHEMBL14573372 0.83 HSD17B10 (0.34) HSD17B10DRD3ESR1

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 CHRM1 22/4885SLC6A2 46/4885SLC6A4 153/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 CHRM1 17/4885SLC6A2 232/4885SLC6A4 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.