SCHEMBL8320248

SCHEMBL8320248

COc1ccc(CN2CCC(C)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.69
SIGMAR1 Q99720 2/20 0.65
ACHE P22303 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
PTGIR P43119 1/20 0.58
HTR7 P34969 2/20 0.56
BACE1 P56817 1/20 0.55
CHKA P35790 1/20 0.54

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
SCHEMBL13726456 0.90 SIGMAR1 (0.57) HRH3SIGMAR1ACHESMN1; SMN2KMT2A
SCHEMBL20804352 0.85 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRCHKA
SCHEMBL1043952 0.85 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRCHKA
SCHEMBL19285228 0.85 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRCHKA
SCHEMBL10868711 0.85 SIGMAR1 (0.63) SIGMAR1ACHESMN1; SMN2KMT2AMEN1
SCHEMBL8320244 0.85 SIGMAR1 (0.63) HRH3SIGMAR1ACHESMN1; SMN2KMT2A
SCHEMBL1586714 0.85 SIGMAR1 (0.63) SIGMAR1ACHESMN1; SMN2KMT2AMEN1
SCHEMBL8101249 0.85 SIGMAR1 (0.63) SIGMAR1ACHESMN1; SMN2KMT2AMEN1
SCHEMBL2390775 0.85 MEN1 (0.68) HRH3SIGMAR1ACHESMN1; SMN2KMT2A
SCHEMBL12023880 0.83 SIGMAR1 (0.75) HRH3SIGMAR1ACHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3969458-A1 CHEMICAL COMPOUNDS Boragen, Inc. (US) 2022-03-23 EP disclosed
WO-2021057696-A1 HETEROARYL COMPOUND AND APPLICATION THEREOF 隆泰申医药科技(南京)有限公司 2021-04-01 WO disclosed
WO-2020232470-A1 CHEMICAL COMPOUNDS Boragen, Inc. (US) 2020-11-19 WO disclosed
EP-1833817-B1 SYNTHESIS OF CCR5 RECEPTOR ANTAGONISTS SCHERING CORP (US) 2010-10-13 EP disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-31 US disclosed
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-31 US disclosed
EP-0604494-B1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-07-28 EP 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-20070122444-A1 Medical devices employing triazine compounds and compositions thereof AREG, TGFB1, TGFB2 HRH3 430/4885SIGMAR1 2322/4885ACHE 4469/4885

“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.