SCHEMBL17835702

SCHEMBL17835702

CN(C)[C@H]1c2ccccc2C[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.44
HTR2C P28335 14/20 0.44
HTR2B P41595 14/20 0.44
HRH3 Q9Y5N1 14/20 0.44
SIGMAR1 Q99720 2/20 0.44
KAT2B Q92831 1/20 0.40

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
SCHEMBL8063906 1.00 HTR2A (0.44) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL17559139 1.00 HTR2A (0.44) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL7954422 1.00 HTR2A (0.44) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL9772360 1.00 HTR2A (0.44) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL7764372 0.82 SLC6A2 (0.37) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL5730688 0.82 HTR2A (0.40) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL2444502 0.81 KCNE1 (0.37) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL30832970 0.81 KCNE1 (0.37) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL7761032 0.80 SIGMAR1 (0.48) SIGMAR1
SCHEMBL9772397 0.79 SLC18A3 (0.50) HTR2AHTR2CHTR2BHRH3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 US disclosed
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 US disclosed
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2018-11-20 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 WO disclosed
EP-3034500-A1 Amido thiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-06-22 EP disclosed
EP-3034500-A1 Amido thiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-06-22 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 (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-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB HTR2A 4176/4885HTR2C 3798/4885HTR2B 3178/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB HTR2A 4176/4885HTR2C 3798/4885HTR2B 3178/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB HTR2A 4176/4885HTR2C 3798/4885HTR2B 3178/4885

“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.