SCHEMBL4873364

SCHEMBL4873364

CN1CCC(Sc2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.56
PGR P06401 1/20 0.51
BRD1 O95696 2/20 0.50
BRPF1 P55201 2/20 0.50
TRIM24 O15164 1/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSPD1 P10809 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN5 P54829 1/20 0.44
HSPE1 P61604 1/20 0.44
BRD4 O60885 1/20 0.43
SGK1 O00141 3/20 0.43
HSD17B1 P14061 1/20 0.41

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
SCHEMBL4870984 0.84 PGR (0.48) HTR6PGRL3MBTL1PTPN2PTPN1
SCHEMBL4873426 0.82 PGR (0.55) PGRTRIM24BRD4
SCHEMBL4866404 0.80 HTR6 (0.55) HTR6PGRMAPTHTR2AHTR2C
SCHEMBL4868720 0.78 MAPT (0.49) HTR6PGRBRD1BRPF1MAPT
SCHEMBL4866321 0.78 ALDH1A1 (0.57) MAPTL3MBTL1
SCHEMBL4874458 0.78 ALDH1A1 (0.44) HTR6TRIM24MAPTDRD2HTR2A
SCHEMBL4876385 0.77 HTR6 (0.49) HTR6TRIM24MAPTDRD2HTR2A
SCHEMBL4876689 0.77 CES1 (0.54) HTR6MAPTDRD2HTR2AHTR2C
SCHEMBL4873695 0.77 ALDH1A1 (0.58) MAPTHTR2AHTR2CL3MBTL1
SCHEMBL4876786 0.75 ALDH1A1 (0.56) HTR6PGRBRD1BRPF1TRIM24

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 4 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-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 HTR6 335/4885PGR 1466/4885BRD1 1370/4885

“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.