SCHEMBL1995457

SCHEMBL1995457

CN1CCOc2ccc3c(c(Cl)cn3S(=O)(=O)c3ccccc3F)c2C1(C)OC(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.37
PKLR P30613 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.35
HTR6 P50406 7/20 0.34
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
RORC P51449 1/20 0.32
HTR2C P28335 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 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
SCHEMBL1996682 0.87 PKM (0.40) PKMPKLRHTR6RORCHTR2C
SCHEMBL1998909 0.84 HTR6 (0.38) PKMPKLRALDH1A1CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL1995454 0.75 ALDH1A1 (0.39) PKMPKLRALDH1A1CYP1A2CYP2D6
SCHEMBL1996243 0.74 HTR6 (0.41) CYP2D6HTR6
SCHEMBL1997381 0.74 HTR6 (0.40) PKMPKLRHTR6HTR2C
SCHEMBL1996662 0.72 PKM (0.41) PKMPKLRALDH1A1CYP1A2CYP2D6
SCHEMBL1998092 0.71 HTR6 (0.42) PKMPKLRHTR6HTR2C
Trifluoroacetic Acid SCHEMBL1998907 0.70 ALDH1A1 (0.37) PKMPKLRALDH1A1CYP1A2CYP2D6
SCHEMBL1998665 0.67 PKM (0.39) PKMPKLRALDH1A1CYP1A2CYP2D6
SCHEMBL1994437 0.67 HTR6 (0.46) GAAHTR6HTR2CMAPK1

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 PKM 1287/4885PKLR 2231/4885ALDH1A1 691/4885

“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.