SCHEMBL744019

SCHEMBL744019

O=S(=O)(c1ccccc1)n1cc2c3c(cccc31)CNCC2O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.51
HTR2C P28335 5/20 0.47
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
DRD3 P35462 1/20 0.43
CYP3A4 P08684 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL740034 0.93 HTR6 (0.45) HTR6HTR2CHTR1DHTR1BDRD3
SCHEMBL744047 0.80 HTR6 (0.64) HTR6HTR2CCYP3A4HTR2AHTR2B
SCHEMBL740035 0.80 HTR6 (0.43) HTR6HTR2CHTR1DHTR1BDRD3
SCHEMBL742112 0.76 HTR6 (0.58) HTR6HTR2CCYP3A4HTR2AHTR2B
SCHEMBL741574 0.75 HTR6 (0.51) HTR6HTR2CCYP3A4HTR2AHTR2B
SCHEMBL741282 0.73 HTR6 (0.58) HTR6HTR2CCYP3A4HTR2AHTR2B
Hydrochloric Acid SCHEMBL742605 0.72 HTR6 (0.57) HTR6HTR2CCYP3A4HTR2AHTR2B
Trifluoroacetic Acid SCHEMBL740840 0.70 HTR6 (0.44) HTR6HTR2C
SCHEMBL741612 0.67 HTR6 (0.51) HTR6HTR2CHTR1DHTR1BDRD3
SCHEMBL742701 0.66 HTR6 (0.62) HTR6HTR2CCYP3A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US claimed
EP-2134714-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY Biovitrum AB (publ) (SE) 2009-12-23 EP claimed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US claimed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 WO claimed
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 1/4885HTR2C 8/4885HTR1D 11/4885

“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.