Sugi Predict

Sugi Predict / Compounds / SCHEMBL4873424

SCHEMBL4873424

SCHEMBL4873424

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ PARP14 Q460N5 2/20 0.38
▸ PARG Q86W56 1/20 0.38
▸ PARP1 P09874 6/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ PDE3A Q14432 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ HTR1F P30939 1/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ POLB P06746 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
SCHEMBL4866393 0.87 POLB (0.42) PARP14MAOAMAOBHTR1FGAA
SCHEMBL5635832 0.82 CA12 (0.40) CA12CA9PARGPARP1KDM4E
SCHEMBL14573413 0.82 CA12 (0.40) CA12CA9PARGPARP1KDM4E
SCHEMBL4873776 0.81 ADORA3 (0.44) CA12CA9PARP14PARGPARP1
SCHEMBL4873979 0.76 MEN1 (0.46) CA12CA9PDE3APDE3BMAOA
SCHEMBL14082488 0.76 HSD17B10 (0.41) PARGKDM4ETSHRALDH1A1HPGD
SCHEMBL4873513 0.75 LMNA (0.42) MAOAMAOBHTR1F
SCHEMBL4876425 0.75 MEN1 (0.52) KDM4EPDE3ATSHRALDH1A1PDE3B
SCHEMBL4195289 0.73 KDM4E (0.60) CA12CA9PARGPARP1KDM4E
SCHEMBL7026070 0.71 KIF11 (0.55) PARP1KDM4EPDE3AALDH1A1MAPT

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 CA12 867/4885CA9 1674/4885PARP14 3904/4885

“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.