SCHEMBL801409

SCHEMBL801409

O=S(=O)(Nc1cccc(F)c1)c1ccc2[nH]c3c(c2c1)CN(Cc1ccccc1)CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 1.00
HTR1A P08908 2/20 0.71
HTR2C P28335 2/20 0.71
HTR7 P34969 2/20 0.71
ACHE P22303 4/20 0.66
LMNA P02545 4/20 0.64
TP53 P04637 4/20 0.64
MAPT P10636 4/20 0.64
AKR1B1 P15121 1/20 0.55
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
THRB P10828 1/20 0.52

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
SCHEMBL801121 0.83 HTR6 (1.00) HTR6HTR1AHTR2CHTR7LMNA
SCHEMBL801075 0.76 HTR6 (0.80) HTR6HTR1AHTR2CHTR7LMNA
SCHEMBL6038338 0.76 ACHE (0.64) HTR6ACHELMNATP53MAPT
SCHEMBL11183259 0.75 ACHE (0.76) HTR6ACHEAKR1B1
SCHEMBL801087 0.74 HTR6 (0.79) HTR6HTR1AHTR2CHTR7LMNA
SCHEMBL10127704 0.74 ACHE (0.70) HTR6ACHEAKR1B1HDAC1HDAC6
SCHEMBL6038462 0.73 HTR6 (0.57) HTR6ACHELMNATP53MAPT
SCHEMBL2593829 0.72 ACHE (1.00) HTR6ACHEAKR1B1HDAC1HDAC6
SCHEMBL11186197 0.72 ACHE (0.74) HTR6ACHEAKR1B1HDAC1HDAC6
SCHEMBL60976 0.72 AKR1B1 (0.74) HTR6ACHEAKR1B1HDAC1HDAC6

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 69/4885HTR1A 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.