SCHEMBL4873513

SCHEMBL4873513

CN1CCC(Sc2ccc3[nH]c(=O)n(C)c3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
PGR P06401 3/20 0.41
MAOB P27338 4/20 0.38
MAOA P21397 1/20 0.35
HTR1F P30939 1/20 0.35
BRD4 O60885 1/20 0.34
HSD11B1 P28845 2/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KCNH2 Q12809 1/20 0.33
YTHDF2 Q9Y5A9 1/20 0.33

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
SCHEMBL4873776 0.85 ADORA3 (0.44) MAOBMAOAHTR1FBRD4
SCHEMBL4873266 0.84 PSMB8 (0.48) PGRMAOBMAOAHTR1F
SCHEMBL4866393 0.80 POLB (0.42) MAOBMAOAHTR1FHSD11B1
SCHEMBL4873979 0.77 MEN1 (0.46) MAOBMAOAHTR1F
SCHEMBL4873567 0.77 LMNA (0.40) LMNAPGRMAOBHSD11B1HTR1A
SCHEMBL4876425 0.76 MEN1 (0.52) LMNA
SCHEMBL4873424 0.75 CA12 (0.39) MAOBMAOAHTR1F
SCHEMBL14082488 0.74 HSD17B10 (0.41) LMNABRD4
SCHEMBL4866553 0.71 ADORA3 (0.35) LMNAPGRHTR1F
SCHEMBL6770061 0.69 DAO (0.64) LMNAPGRMAOBBRD4

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 LMNA 4805/4885PGR 1466/4885MAOB 324/4885

“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.