SCHEMBL664938

SCHEMBL664938

CC(NC1CC1)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.85
L3MBTL1 Q9Y468 1/20 0.85
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
ATM Q13315 1/20 0.53
EPHX1 P07099 2/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
SMPD1 P17405 1/20 0.42

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
SCHEMBL27818229 1.00 GAA (0.85) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL7751819 0.92 GAA (0.73) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL3668041 0.92 GAA (1.00) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL21919785 0.91 GAA (0.71) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL3665477 0.91 GAA (0.71) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL3665297 0.90 GAA (0.96) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL21104687 0.90 GAA (0.96) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL3671016 0.90 GAA (0.96) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL28091017 0.90 GAA (0.96) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL1547043 0.88 GAA (0.68) GAAL3MBTL1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250289830-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2025-09-18 US disclosed
CN-108689951-B Triazole compound and application thereof in agriculture 东莞市东阳光农药研发有限公司 2020-05-19 CN disclosed
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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 (3 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 GAA 315/4885L3MBTL1 4007/4885MEN1 3395/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT GAA 86/4885L3MBTL1 4831/4885MEN1 3226/4885
US-20250289830-A1 KRAS INHIBITORS KRAS, NRAS, HRAS GAA 1287/4885L3MBTL1 1533/4885MEN1 226/4885

“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.