SCHEMBL6541552

SCHEMBL6541552

FC(F)(F)c1cccc([C@@H]2CO2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.62
HTR2B P41595 3/20 0.55
CHRM2 P08172 1/20 0.55
DRD3 P35462 1/20 0.55
HTR2C P28335 4/20 0.53
HTR2A P28223 2/20 0.53
TSHR P16473 2/20 0.48
DRD2 P14416 1/20 0.48
TEAD1 P28347 1/20 0.47
PARP1 P09874 1/20 0.46
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
FFAR1 O14842 2/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL6492774 1.00 HTR1A (0.62) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL25831748 1.00 HTR1A (0.62) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL5698951 1.00 HTR1A (0.62) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL12186548 0.82 HTR1A (0.59) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL15154705 0.82 HTR1A (0.59) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL2599515 0.82 HTR1A (0.59) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL12186572 0.82 HTR1A (0.59) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL20262054 0.82 HTR1A (0.59) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL12186565 0.82 HTR1A (0.59) HTR1AHTR2BCHRM2DRD3HTR2C
SCHEMBL12186569 0.82 HTR1A (0.59) HTR1AHTR2BCHRM2DRD3HTR2C

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP claimed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US claimed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP claimed
US-9353096-B2 Substituted phenylcarbamate compounds HOFFMANN-LA ROCHE INC. (US) 2016-05-31 US disclosed
EP-2909170-A1 SUBSTITUTED CARBAMATE COMPOUNDS AND THEIR USE AS TRANSIENT RECEPTOR POTENTIAL (TRP) CHANNEL ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2015-08-26 EP disclosed
EP-2906544-A1 SUBSTITUTED PHENYLCARBAMATE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-19 EP disclosed
US-20150218144-A1 SUBSTITUTED PHENYLCARBAMATE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-08-06 US disclosed
US-20150218141-A1 SUBSTITUTED CARBAMATE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-08-06 US disclosed
WO-2014060341-A1 SUBSTITUTED CARBAMATE COMPOUNDS AND THEIR USE AS TRANSIENT RECEPTOR POTENTIAL (TRP) CHANNEL ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 WO disclosed
WO-2014056958-A1 SUBSTITUTED PHENYLCARBAMATE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO disclosed
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-0516350-B1 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LTD (GB) 1995-09-20 EP disclosed
CN-1069022-A 4-[2-(2-hydroxyl-2-benzene ethylamino) oxyethyl group that is used for the treatment of obesity and correlation behavior] phenylacetic acid derivatives ICI PLC (GB) 1993-02-17 CN disclosed
EP-0516350-A2 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LIMITED (GB) 1992-12-02 EP disclosed
US-4588749-A ANTIOBESITY AND HYPOGLYCEMIC AGENTS BEECHAM GROUP P.L.C. (GB) 1986-05-13 US disclosed
EP-0040915-B1 ARYLETHANOLAMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1984-03-21 EP disclosed
EP-0040000-B1 ARYLETHANOLAMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1983-10-12 EP disclosed
US-4385066-A DIETETICS, HYPERGLYCEMIC AGENTS ANTIINFLAMMATORY AGENTS BEECHAM GROUP LIMITED (GB) 1983-05-24 US disclosed
EP-0040915-A1 Arylethanolamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-12-02 EP disclosed
EP-0040000-A1 Arylethanolamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-11-18 EP 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 (3 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-20150218144-A1 SUBSTITUTED PHENYLCARBAMATE COMPOUNDS TRPA1, TRPV1, TRPV3 HTR1A 331/4885HTR2B 240/4885CHRM2 326/4885
US-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 HTR1A 135/4885HTR2B 951/4885CHRM2 207/4885
US-20150218141-A1 SUBSTITUTED CARBAMATE COMPOUNDS TRPA1, TRPV1, TRPV3 HTR1A 448/4885HTR2B 569/4885CHRM2 74/4885

“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.