SCHEMBL2825842

SCHEMBL2825842

O=C(O)N1CCC(C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPR P35270 10/20 0.39
NAMPT P43490 2/20 0.38
VNN1 O95497 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
RBP4 P02753 1/20 0.33

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
SCHEMBL4218523 0.87 SPR (0.47) SPRNAMPTVNN1
SCHEMBL15114446 0.84 RBP4 (0.46) SPRNAMPTVNN1ALDH1A1CYP2D6
SCHEMBL27872557 0.84 HRH3 (0.47) SPRNAMPTVNN1ALDH1A1CYP2D6
Chlorobenzene SCHEMBL27720081 0.83 SPR (0.45) SPRNAMPTALDH1A1KCNH2RBP4
SCHEMBL7860329 0.80 EPHX2 (0.46) SPRNAMPT
SCHEMBL18312206 0.80 SPR (0.41) SPRNAMPTVNN1CYP2D6KCNH2
SCHEMBL1573760 0.80 SPR (0.41) SPRNAMPTVNN1CYP2D6KCNH2
SCHEMBL772535 0.80 SPR (0.38) SPRNAMPTVNN1CYP2D6KCNH2
Isothiazole SCHEMBL27720073 0.79 NAMPT (0.34) SPRNAMPTVNN1
SCHEMBL5765556 0.77 CYP2D6 (0.55) ALDH1A1CYP2D6KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101080392-B Piperazinyl pyridine derivatives as anti-obesity agents HOFFMANN LA ROCHE 2010-05-05 CN claimed
US-7456175-B2 Piperazinyl-pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-25 US claimed
EP-1828134-B1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS HOFFMANN LA ROCHE (CH) 2008-10-29 EP claimed
US-7317007-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2008-01-08 US claimed
CN-101080392-A Piperazinyl pyridine derivatives as anti-obesity agents HOFFMANN LA ROCHE (CH) 2007-11-28 CN claimed
EP-1828134-A1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-05 EP claimed
US-20060135528-A1 Piperazinyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 US claimed
WO-2006063718-A1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO claimed
US-20060003986-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER 2006-01-05 US claimed
EP-4551556-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING WRN HELICASE INHIBITORS Vividion Therapeutics, Inc. (US) 2025-05-14 EP disclosed
WO-2024010784-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING WRN HELICASE INHIBITORS VIVIDION THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed
WO-2023243601-A1 AZACYCLOALKYL CARBONYL CYCLIC AMINE COMPOUND モジュラス株式会社 2023-12-21 WO disclosed
WO-2022250069-A1 SULFUR-CONTAINING PYRAZOLE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT INCLUDING SULFUR-CONTAINING PYRAZOLE COMPOUND AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2022-12-01 WO disclosed
WO-2022165529-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES JANSSEN BIOTECH, INC. (US) 2022-08-04 WO disclosed
CN-1437471-A Benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2003-08-20 CN disclosed
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-07-03 US disclosed
EP-1303272-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-6521754-B2 Such as N-4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-2-methyl-isoni cotinamide HOFFMAN-LA ROCHE INC. 2003-02-18 US disclosed
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
WO-2001097786-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-12-27 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 (4 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-20060003986-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 SPR 1302/4885NAMPT 191/4885VNN1 1927/4885
US-20060135528-A1 Piperazinyl-pyridine derivatives HRH4, HRH3, H1-3 SPR 2027/4885NAMPT 1768/4885VNN1 4001/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 SPR 1302/4885NAMPT 191/4885VNN1 1927/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 SPR 1302/4885NAMPT 191/4885VNN1 1927/4885

“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.