SCHEMBL4870102

SCHEMBL4870102

CN1CCC(Sc2ccc3[nH]c(=S)n(C)c3c2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 3/20 0.43
HRH4 Q9H3N8 3/20 0.32
HRH3 Q9Y5N1 2/20 0.32
NPSR1 Q6W5P4 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CACNA1G O43497 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4874964 0.83 PSMB8 (0.39) PSMB8
SCHEMBL14082495 0.77 PSMB8 (0.38) PSMB8HRH4HRH3
SCHEMBL4866553 0.74 ADORA3 (0.35) HRH4HRH3LMNA
SCHEMBL5634907 0.73 MAPT (0.36) PSMB8ALDH1A1
SCHEMBL14573415 0.73 MAPT (0.36) PSMB8ALDH1A1
SCHEMBL4873266 0.72 PSMB8 (0.48) PSMB8HRH4HRH3NPSR1RXFP1
Hydrochloric Acid SCHEMBL4873397 0.72 PSMB8 (0.38) PSMB8
SCHEMBL14082492 0.72 MEN1 (0.36) HRH4HRH3
Hydrochloric Acid SCHEMBL4873457 0.71 MEN1 (0.36) HRH4HRH3
SCHEMBL14573416 0.70 ALDH1A1 (0.35) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 US disclosed
EP-1467986-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-10-20 EP disclosed
WO-2003062224-A1 AZA-CYCLIC COMPOUNDS AS 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 (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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 PSMB8 2757/4885HRH4 71/4885HRH3 163/4885

“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.