SCHEMBL1998909

SCHEMBL1998909

CC1(OC(=O)C(F)(F)F)NCCOc2ccc3c(c(Cl)cn3S(=O)(=O)c3ccccc3F)c21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.38
HTR2C P28335 2/20 0.37
PKM P14618 2/20 0.35
PKLR P30613 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR1A P08908 1/20 0.35
DRD3 P35462 1/20 0.35
GAA P10253 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
SCHEMBL1997381 0.90 HTR6 (0.40) HTR6HTR2CPKMPKLR
SCHEMBL1998092 0.87 HTR6 (0.42) HTR6HTR2CPKMPKLR
SCHEMBL1995457 0.84 PKM (0.37) HTR6HTR2CPKMPKLRALDH1A1
SCHEMBL1994437 0.81 HTR6 (0.46) HTR6HTR2CDRD3GAA
Trifluoroacetic Acid SCHEMBL1998907 0.75 ALDH1A1 (0.37) HTR6HTR2CPKMPKLRALDH1A1
SCHEMBL1998665 0.72 PKM (0.39) HTR6HTR2CPKMPKLRALDH1A1
SCHEMBL1996682 0.71 PKM (0.40) HTR6HTR2CPKMPKLR
Trifluoroacetic Acid SCHEMBL1995454 0.70 ALDH1A1 (0.39) HTR6HTR2CPKMPKLRALDH1A1
SCHEMBL1995691 0.70 HTR6 (0.43) HTR6
SCHEMBL1996662 0.67 PKM (0.41) HTR6HTR2CPKMPKLRALDH1A1

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 1/4885HTR2C 18/4885PKM 1287/4885

“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.