SCHEMBL742631

SCHEMBL742631

O=S(=O)(c1c(Cl)nc2sccn12)n1cc2c3c(cccc31)CNCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.51
HTR6 P50406 11/20 0.51
HTR2C P28335 3/20 0.51
HTR7 P34969 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2A6 P11509 1/20 0.51
HTR2B P41595 1/20 0.51
ADRA2A P08913 2/20 0.48
ADRB2 P07550 1/20 0.48
CHRM2 P08172 1/20 0.48
S1PR1 P21453 1/20 0.48
C5AR1 P21730 1/20 0.48
SLC6A2 P23975 1/20 0.48
FPR3 P25089 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
GPR183 P32249 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48

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 SCHEMBL743159 0.93 HTR6 (0.47) METHTR6HTR2CHTR7CYP3A4
SCHEMBL10239535 0.74 ACLY (0.50) HTR6HTR2CADRA2A
SCHEMBL10238843 0.74 ACLY (0.52) HTR6HTR2CADRA2A
SCHEMBL743799 0.73 HTR6 (0.53) HTR6HTR2CCYP3A4HTR2BHTR2A
SCHEMBL742658 0.73 HTR6 (0.53) HTR6HTR2CCYP3A4HTR2BHTR2A
Hydrochloric Acid SCHEMBL9957918 0.73 ACLY (0.49) HTR6HTR2CADRA2A
Hydrochloric Acid SCHEMBL9958211 0.73 ACLY (0.52) HTR6HTR2CADRA2A
SCHEMBL742667 0.73 HTR2C (0.54) HTR6HTR2CCYP3A4HTR2BHTR2A
SCHEMBL742112 0.72 HTR6 (0.58) HTR6HTR2CCYP3A4HTR2BHTR2A
SCHEMBL744445 0.72 HTR6 (0.61) HTR6HTR2CCYP3A4HTR2BHTR2A

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 MET 1338/4885HTR6 1/4885HTR2C 8/4885

“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.