SCHEMBL5887730

SCHEMBL5887730

CN1C2CCC1CC(Sc1cc(Cl)c(O)cc1Cl)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CHRM1 P11229 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
CYP2D6 P10635 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
GMNN O75496 1/20 0.36
HTR3B O95264 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
MTOR P42345 1/20 0.36
HTR3A P46098 1/20 0.36
PMP22 Q01453 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.34
CYP2C9 P11712 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
SCHEMBL14573375 1.00 TSHR (0.36) TSHRHSD17B10CHRM1SLC6A2SLC6A4
SCHEMBL5636041 0.82 HPGD (0.33) TSHRHSD17B10HPGD
SCHEMBL14573385 0.81 CHRM1 (0.38) TSHRHSD17B10CHRM1SLC6A2SLC6A4
SCHEMBL5635580 0.81 CHRM1 (0.38) TSHRHSD17B10CHRM1SLC6A2SLC6A4
SCHEMBL14573396 0.81 CHRM1 (0.38) TSHRHSD17B10CHRM1SLC6A2SLC6A4
SCHEMBL5636317 0.77 SLC6A2 (0.39) TSHRCHRM1SLC6A2SLC6A4CYP2D6
SCHEMBL5636332 0.76 CHRM1 (0.38) TSHRHSD17B10CHRM1SLC6A2SLC6A4
SCHEMBL14573376 0.76 CHRM1 (0.38) TSHRHSD17B10CHRM1SLC6A2SLC6A4
SCHEMBL14573390 0.75 PDE7A (0.41) TSHRCHRM1SLC6A2SLC6A4MAPT
SCHEMBL5664764 0.75 PDE7A (0.41) TSHRCHRM1SLC6A2SLC6A4MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050182088-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 TSHR 59/4885HSD17B10 1779/4885CHRM1 22/4885

“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.