SCHEMBL801291

SCHEMBL801291

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.60
HTR2C P28335 4/20 0.51
HTR1A P08908 2/20 0.51
HTR7 P34969 2/20 0.51
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
BAZ2B Q9UIF8 1/20 0.46
PKM P14618 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
CYP2D6 P10635 2/20 0.46
HTT P42858 1/20 0.45
DRD2 P14416 2/20 0.45
HTR2A P28223 2/20 0.45
DRD3 P35462 2/20 0.45

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) HTR6HTR2CHTR1AHTR7LMNA
SCHEMBL801088 0.88 HTR6 (0.66) HTR6HTR2CHTR1AHTR7TP53
SCHEMBL801393 0.84 HTR6 (0.79) HTR6LMNABAZ2BCYP1A2CYP3A4
SCHEMBL805308 0.83 TP53 (0.49) HTR6TP53LMNAMAPTTHRB
SCHEMBL801087 0.79 HTR6 (0.79) HTR6HTR2CHTR1AHTR7TP53
SCHEMBL801073 0.75 HTR6 (1.00) HTR6HTR2CHTR7CYP1A2CYP2D6
SCHEMBL801394 0.74 HTR6 (0.79) HTR6HTR2CHTR1AHTR7CYP1A2
SCHEMBL805309 0.71 PKM (0.59) HTR6HTR2CHTR1AHTR7TP53
SCHEMBL15010215 0.71 ALDH1A1 (0.57) TP53LMNAMAPTTHRBPKM
SCHEMBL880288 0.71 PKM (0.54) HTR6HTR2CLMNAPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433939-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME Alla Chem, LLC. (US) 2012-03-28 EP 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
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 69/4885HTR2C 9/4885HTR1A 20/4885

“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.