SCHEMBL801088

SCHEMBL801088

CN1CCc2c(c3cc(S(=O)(=O)Nc4cccc(F)c4)ccc3n2C)C1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.66
HTR1A P08908 2/20 0.66
HTR2C P28335 2/20 0.66
HTR7 P34969 2/20 0.66
PKM P14618 4/20 0.60
HTT P42858 1/20 0.60
LMNA P02545 2/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ESR1 P03372 1/20 0.45
HRH1 P35367 1/20 0.43

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
SCHEMBL801279 0.89 HTR6 (0.72) HTR6HTR1AHTR2CHTR7PKM
SCHEMBL801291 0.88 HTR6 (0.60) HTR6HTR1AHTR2CHTR7PKM
SCHEMBL801394 0.84 HTR6 (0.79) HTR6HTR1AHTR2CHTR7CYP1A2
SCHEMBL805309 0.83 PKM (0.59) HTR6HTR1AHTR2CHTR7PKM
SCHEMBL801121 0.79 HTR6 (1.00) HTR6HTR1AHTR2CHTR7LMNA
SCHEMBL801073 0.75 HTR6 (1.00) HTR6HTR2CHTR7CYP1A2CYP2D6
SCHEMBL801393 0.74 HTR6 (0.79) HTR6HTTLMNACYP1A2CYP2D6
SCHEMBL805308 0.71 TP53 (0.49) HTR6PKMHTTLMNATP53
SCHEMBL880288 0.71 PKM (0.54) HTR6HTR2CPKMHTTLMNA
SCHEMBL12129712 0.69 CYP1A2 (0.51) HTR6CYP1A2CYP2D6HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071493-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2012-03-22 US disclosed
US-20120071493-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2012-03-22 US disclosed
WO-2010134846-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2010-11-25 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 (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-20120071493-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME SIGMAR1, ADRA2C, ADRB2 HTR6 69/4885HTR1A 20/4885HTR2C 9/4885

“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.