SCHEMBL3176490

SCHEMBL3176490

CN(C)CCc1cn(S(C)(=O)=O)c2c(F)ccc(OCc3ccccc3)c12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.46
HTR2A P28223 1/20 0.46
HTR1D P28221 3/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HTR1B P28222 2/20 0.39
HTR1F P30939 2/20 0.39
HTR7 P34969 2/20 0.39
DRD3 P35462 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CYP19A1 P11511 1/20 0.38
EGFR P00533 1/20 0.36
HTR1E P28566 1/20 0.36

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
SCHEMBL3167331 0.92 HTR6 (0.46) HTR6HTR2AHTR1DHTR1ADRD2
SCHEMBL1163485 0.84 HTR2A (0.50) HTR6HTR2AHTR1DTRPM8EGFR
SCHEMBL17147641 0.83 HTR2A (0.49) HTR6HTR2AHTR1DTRPM8EGFR
SCHEMBL1163144 0.82 HTR2A (0.48) HTR6HTR2AHTR1DTRPM8
SCHEMBL3804876 0.82 HTR2A (0.48) HTR6HTR2AHTR1DTRPM8EGFR
SCHEMBL3182087 0.81 HTR2A (0.47) HTR6HTR2AHTR1DDRD2TRPM8
SCHEMBL3182668 0.81 HTR6 (0.50) HTR6HTR2AHTR1DHTR1ADRD2
SCHEMBL16509893 0.80 HTR2A (0.47) HTR6HTR2AHTR1DTRPM8
SCHEMBL3806838 0.80 HTR2A (0.47) HTR6HTR2AHTR1DTRPM8
SCHEMBL3183284 0.79 HTR2A (0.46) HTR6HTR2AHTR1DTRPM8

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-8071786-B2 Indole compounds useful as serotonin selective agents GALENEA CORP. (US) 2011-12-06 US disclosed
US-8071786-B2 Indole compounds useful as serotonin selective agents GALENEA CORP. (US) 2011-12-06 US disclosed
US-8071786-B2 Indole compounds useful as serotonin selective agents GALENEA CORP. (US) 2011-12-06 US disclosed
US-20100137616-A1 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS SARD HOWARD P 2010-06-03 US disclosed
US-7655691-B2 Indole compounds useful as serotonin selective agents ORGANIX, INC. 2010-02-02 US disclosed
EP-1799640-A4 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS ORGANIX INC (US) 2009-09-02 EP disclosed
EP-1799640-A2 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS Organix, Inc. (US) 2007-06-27 EP disclosed
US-20060100266-A1 Indole compounds useful as serotonin selective agents ORGANIX, INC. (US) 2006-05-11 US disclosed
WO-2006047032-A2 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS ORGANIX, INC. (US) 2006-05-04 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 (2 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-20100137616-A1 INDOLE COMPOUNDS USEFUL AS SEROTONIN SELECTIVE AGENTS TPH1, TPH2, AANAT HTR6 4/4885HTR2A 11/4885HTR1D 21/4885
US-20060100266-A1 Indole compounds useful as serotonin selective agents TPH1, TPH2, AANAT HTR6 4/4885HTR2A 11/4885HTR1D 21/4885

“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.