SCHEMBL1997381

SCHEMBL1997381

CC1(OC(=O)C(F)(F)F)NCCOc2ccc3c(c(Cl)cn3S(=O)(=O)c3ccccc3)c21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.40
HTR2C P28335 2/20 0.35
CYP3A4 P08684 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
PKM P14618 2/20 0.33
PKLR P30613 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1998092 0.92 HTR6 (0.42) HTR6HTR2CPKMPKLRSMN1; SMN2
SCHEMBL1998909 0.90 HTR6 (0.38) HTR6HTR2CPKMPKLR
SCHEMBL1994437 0.78 HTR6 (0.46) HTR6HTR2CCYP3A4HTR2A
SCHEMBL1998227 0.77 HTR6 (0.36) HTR6HTR2CCYP3A4HTR2AHTR2B
SCHEMBL1996682 0.76 PKM (0.40) HTR6HTR2CPKMPKLRKMT2A
Trifluoroacetic Acid SCHEMBL1998224 0.75 HTR6 (0.40) HTR6HTR2CCYP3A4HTR2AHTR2B
Trifluoroacetic Acid SCHEMBL1997380 0.75 HTR6 (0.38) HTR6HTR2CCYP3A4HTR2AHTR2B
SCHEMBL1995457 0.74 PKM (0.37) HTR6HTR2CPKMPKLR
Trifluoroacetic Acid SCHEMBL4409732 0.73 HTR6 (0.37) HTR6HTR2CCYP3A4HTR2AHTR2B
SCHEMBL2001693 0.70 HTR6 (0.46) HTR6HTR2CCYP3A4HTR2AHTR2B

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 4 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
EP-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 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-20080176829-A1 Compounds HTR6, HTR1B, HTR1A HTR6 1/4885HTR2C 18/4885CYP3A4 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.