SCHEMBL743592

SCHEMBL743592

CC1c2c(O)ccc3c2c(cn3S(=O)(=O)c2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.45
HTR3A P46098 1/20 0.37
NR1H2 P55055 9/20 0.36
NR1H3 Q13133 5/20 0.36
HTR2C P28335 1/20 0.36
TGFBR1 P36897 1/20 0.35
BCHE P06276 1/20 0.34
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL741642 0.88 HTR6 (0.42) HTR6HTR3AHTR2CMEN1KMT2A
SCHEMBL743622 0.86 HTR6 (0.41) HTR6HTR3ANR1H2NR1H3HTR2C
SCHEMBL744004 0.76 HTR6 (0.37) HTR6HTR3AHTR2CMEN1KMT2A
SCHEMBL742369 0.74 HTR6 (0.43) HTR6HTR3AHTR2C
SCHEMBL30983668 0.71 ESR2 (0.44) NR1H2HTR2CHSD11B1MEN1KMT2A
SCHEMBL30983738 0.70 ESR2 (0.43) NR1H2HSD11B1MEN1KMT2A
SCHEMBL30983726 0.70 ESR2 (0.43) NR1H2HSD11B1MEN1KMT2A
SCHEMBL1994506 0.70 HTR6 (0.46) HTR6BCHE
SCHEMBL741603 0.70 HTR6 (0.42) HTR6HTR3AHTR2C
SCHEMBL30983724 0.69 ESR2 (0.43) NR1H2HSD11B1MEN1KMT2A

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-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
EP-2134714-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY Biovitrum AB (publ) (SE) 2009-12-23 EP disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 WO disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 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-20080293694-A1 New compounds HTR6, HTR1A, HTR1B HTR6 1/4885HTR3A 12/4885NR1H2 354/4885

“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.