SCHEMBL1995691

SCHEMBL1995691

COc1cc2c(ccn2S(=O)(=O)c2ccccc2Cl)c2c1OCCNC2(C)OC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.43
FABP4 P15090 4/20 0.39
CYP3A4 P08684 1/20 0.35
MET P08581 1/20 0.33
BRD4 O60885 1/20 0.31

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
SCHEMBL1998595 0.92 HTR6 (0.34) HTR6FABP4CYP3A4
SCHEMBL1997135 0.92 FABP4 (0.39) HTR6FABP4BRD4
SCHEMBL1994708 0.87 CPT2 (0.37) HTR6FABP4
SCHEMBL2002914 0.87 HTR6 (0.40) HTR6FABP4
SCHEMBL1994437 0.85 HTR6 (0.46) HTR6FABP4CYP3A4MET
Trifluoroacetic Acid SCHEMBL1995689 0.77 HTR6 (0.39) HTR6FABP4CYP3A4METBRD4
SCHEMBL1995809 0.73 HTR6 (0.43) HTR6FABP4CYP3A4METBRD4
SCHEMBL4418093 0.71 FABP4 (0.40) HTR6FABP4CYP3A4MET
SCHEMBL1998909 0.70 HTR6 (0.38) HTR6
Trifluoroacetic Acid SCHEMBL1998592 0.69 CPT1A (0.33) HTR6FABP4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960374-B2 e.g. 2,5-methylene-9-(phenylsulfonyl)-1,2,3,4,5,9-hexahydro[1,5]oxazocino[3,2-e]indole; serotonin receptors antagonist or partial agonist; metabolic diseases, e.g. obesity, insulin resisitance, type 2 diabetes, eating disorders; antidepressant, anxiolytic agent; cosmetics PROXIMAGEN LIMITED (GB) 2011-06-14 US disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US 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-20080176829-A1 Compounds HTR6, HTR1B, HTR1A HTR6 1/4885FABP4 1988/4885CYP3A4 381/4885

“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.