SCHEMBL1995102

SCHEMBL1995102

Cc1cc2c(c3ccn(S(=O)(=O)c4ccccc4)c13)C(OC(=O)C(F)(F)F)N(C)CCO2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.35
HTR6 P50406 14/20 0.34
ACHE P22303 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
DRD2 P14416 3/20 0.33
DRD3 P35462 2/20 0.33
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
PKM P14618 1/20 0.31
PKLR P30613 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CACNA1B Q00975 1/20 0.31
KLKB1 P03952 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
SCHEMBL1997460 0.87 HTR6 (0.41) HTR6DRD2DRD3HTR1AHTR2A
Trifluoroacetic Acid SCHEMBL1995099 0.78 HTR6 (0.39) NR1H3HTR6DRD2HTR1AHTR2A
SCHEMBL1996220 0.76 NR1H3 (0.35) NR1H3HTR6PKMPKLR
SCHEMBL1997578 0.76 HTR6 (0.40) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL1997494 0.76 HTR6 (0.42) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL1996895 0.74 HTR6 (0.41) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL1997771 0.73 HTR6 (0.44) HTR6DRD2HTR1AHTR2APKM
Trifluoroacetic Acid SCHEMBL1996241 0.73 HTR6 (0.43) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL1996430 0.72 HTR6 (0.41) HTR6DRD2DRD3HTR1AHTR2A
Trifluoroacetic Acid SCHEMBL4410635 0.67 HTR6 (0.42) HTR6DRD2DRD3HTR1AHTR2A

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 NR1H3 201/4885HTR6 1/4885ACHE 524/4885

“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.