SCHEMBL625913

SCHEMBL625913

Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C(=O)NCCC3)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.61
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
ALB P02768 1/20 0.50
MAPT P10636 1/20 0.48
RIPK3 Q9Y572 1/20 0.47

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
SCHEMBL21162354 0.75 HTR6 (0.84) HTR6
SCHEMBL854 0.75 BCHE (0.64) BCHEACHEALB
SCHEMBL21588295 0.73 HTR6 (1.00) HTR6
SCHEMBL29357508 0.72 HTR6 (0.67) HTR6
SCHEMBL17297375 0.72 HTR6 (0.67) HTR6
SCHEMBL797609 0.72 HTR6 (0.53) HTR6RIPK3
SCHEMBL8033750 0.69 HTR6 (0.74) HTR6
SCHEMBL9747308 0.69 CYP3A4 (0.69) HTR6
SCHEMBL31297763 0.68 HTR6 (0.56) HTR6
SCHEMBL28408418 0.68 AGTR1 (0.70) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 US disclosed
EP-2062895-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2009-05-27 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC HTR6 117/4885BCHE 820/4885ACHE 735/4885

“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.